Two Dimensional Coherent Double Resonance Electronic Spectroscopy

Ohio State University Molecular Spectroscopy ConferenceJune 20, 2008

Peter C. Chen Department of ChemistrySpelman CollegeAtlanta GA 30314

pchen@spelman.edu

Rotational congestionA common challenges when interpreting high resolution molecular spectraMore difficulty with increasing size of the moleculeMore difficult to resolve peaksMore difficult to interpret the spectraIncreased chance of perturbations (e.g., conical intersections)Increased chance of mixtures (e.g., isotopomeric or conformational mixtures)

High Resolution Coherent Two Dimensional SpectroscopyOn-diagonal peaks: Similar to 1D spectroscopyOff-diagonal peaks: Provides new information: coupled transitions leads to coupled Fortrat parabola clusters.Benefits: not only improved spectral resolution but also peaks sorting (by rotational and vibrational quantum numbers, selection rules, isotopomer, etc.) IorAn or ln4n12D Contour Plot (data is a 3D surface)ConventionalSpectrum(data is in 2D)1 2 3 4Four wave mixing2 3 1 4CDRESRECARSCoupled transitions

Sample: C2a3Pu d3Pg

Reference: P.C. Chen and C.C. Joyner, Analytical Chemistry 77, 5467-5473, 2005 simulationCoupled Fortrat Parabola!experimentRECARS

Sample: I2 B3Pu X1Sg transition550 nm564 nm550 nm564 nm570576Conventional 1D absorption spectrum:Coherent 2D spectrum:Peaks appear more organized: separated and sorted by.Typical rotational congestion: peaks from different vibrational transitions are overlappedCDRES

550 nmv4=23 v4=22 v4=21 v4=20v4=23 v4=22 v4=21 v4=20570 nm576.47 nm559.64 nml1 (nm)l4 (nm)Sample: Iodine vaporv1=16v1=15Reference: P. C. Chen and C. C. Joyner, JPC A 110, 7989-7993, 2006.Peaks are sorted by vibrational quantum numberv1 = 0 tov4 = 0 tov4 = 0 to1 2 3 4CDRES

and sorted by rotational quantum number550564550564570576Green arrows indicate J=87 (J=86 and 88) for the v=0, v= 23 parabola. (DJ=+1 different location from DJ=-1).PEAKS SORTED BY ROTATIONAL QUANTUM NUMBER AND SELECTION RULE.By comparison, peaks appear disordered in conventional (1D) spectra.simulation:J=1 to 90V=0V4=19 to 23V1=15 to 16l1l4 l J=0023022(peaks sorted by vibrational quant. #)ExperimentalSimulatedv4 =

Instrument: 1.25 meter monochromator w/ CCDPixel spacing: ~0.01nm or 0.4 cm-1CDRES spectrum of Br2 (g)B3Pu+ X1Sg+l (nm)Absorbance513 nm514 nm508 nm528 nmPeak markers: red=79Br2, blue=81Br2, green=79,81Br2; J=1-198; v=0-50Peak density: approximately 1000 peaks per nmSpectral resolution needed: sub-picometer (Doppler broadening ~0.4 pm).

81Br279,81Br279Br2Br2 peaks separated and sorted by isotopomerNote: Experimental results show some effects from lower lying parabolas, (v3>25)l4 (nm)l1 (nm)v4=26v4=27v4=28v4=29v3=25Reference: P. C. Chen and M. Gomes, JPC A 112, 2999-3001, 2008.

SummaryHigh resolution coherent 2D techniques like CDRES canImproves spectral resolutionSorts peaks by vibrational and rotation quantum numbersSorts peaks by selection ruleSorts peaks by isotopomer

Capabilities demonstrated using C2, I2, and Br2 (diatomics with well-characterized spectra). What about something trying something more complicated (e.g., not well-characterized)?

Conventional spectrum of NO2an important photochemical pollutantBroad (absorbs from IR to UV)Lacks regular patterns

Visible absorption spectrum first observed:D. Brewster, Trans. R. Soc. 12, 519, 1834

NO2s notoriously difficult spectrumJet spectra1,2 show unusually high density of irregularly spaced vibronic levels. (~350 vibrational origins observed to be distributed chaotically over the range 516.5-625 nm. Average spacing: 10 cm-1).Low-lying conical intersection (at ~10,000 cm-1) causes strong vibronic mixing (hybrid states) with spacings that appear chaotic.Rotational spacings are also irregular.Result: severe rotational congestion; very few regions assigned.

1. R.E. Smalley, L. Wharton, and D.H. Levy, JCP 63, 4977, 1975.2. R. Georges, A. Delon, and R. Jost, JCP 103, 1732, 1995.

Conventional spectrum of NO2an important photochemical pollutantBroad (absorbs from IR to UV)Lacks regular patterns

l1l4

Observation: Lots of Xs, arranged in an irregular pattern561 nm579nm600 nm

590 nml1l4CDRES spectrum of NO2

SimulationThis simulation shows the expected location of the most intense coupled vibronic transitions. Values used in the simulation are based upon previously measured vibrational origins.Coherent 2D spectrum of NO2

Therefore, the Xs in the 2D spectrum mark the locations of vibronic origins

1 2 3 4R,RP,PR,PP,RNN = N + 1N = N + 1l4l1Note: the N=0 peak is found in the center. N increases systematically with increasing distance from the center.(for the K=0 stack of NO2, N=0, 2, 4, 6, etc.)X-shaped cluster occurs when B = BP = N to N-1R = N to N+1Explanation of the X-shaped structure

2D plot of relevant peaks above 2500 ctsl4l1Expand one of the Xs: resulting pattern more complicated

Chart6

560.75510402560.7810835989593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126

559.9324173577559.9583969365560.668505424560.7031448624593.7818419792593.7818419792593.7818419792593.7818419792

559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008593.7234820431593.7234820431

559.9497370769559.9930363749560.5905666876560.6338659856593.7031308859593.7031308859593.7031308859593.7031308859

560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644593.6459680766593.6459680766

559.9843765153560.0190159537560.5299476703560.5645871088560.625206126593.6301061453593.6301061453593.6301061453

560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684593.5738411812

560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703

560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915593.5094956105593.5094956105

560.0709751113560.0969546901560.4087096359560.4260293551593.5002178771593.5002178771593.5002178771593.5002178771

560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147593.447245012593.447245012

560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551593.4409600958593.4409600958593.4409600958

560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.3870893855593.3870893855

560.2008730054560.3394307591560.3654103379593.3849944134593.3849944134593.3849944134593.3849944134593.3849944134

560.2355124438560.2701518822593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224

560.2181927246560.252832163560.296131461593.2982027135593.2982027135593.2982027135593.2982027135593.2982027135

560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.2404413408593.2404413408

560.2008730054560.3307708994560.3654103379593.2344557063593.2344557063593.2344557063593.2344557063593.2344557063

560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147593.183877095593.183877095

560.1056145497560.1402539882560.3394307591560.3827300571593.175197925593.175197925593.175197925593.175197925

560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319593.1294078212593.1294078212

560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147593.1171372706593.1171372706593.1171372706

560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088

560.0190159537560.0536553921560.122934269560.4606687935560.4953082319593.065660814593.065660814593.065660814

560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644

559.9757166557560.0103560941560.5212878107560.5472673895560.625206126593.0207685555593.0207685555593.0207685555

559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624592.994132482592.994132482

559.9497370769559.9843765153560.5992265472560.625206126592.9812633679592.9812633679592.9812633679592.9812633679

559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624592.9603136472592.9603136472

Sheet1

Analysis of 072307d2f.datConducted on 051208NEW VALUES:Next, remove the ones thatSTEP 3: use boxesNOW, MAKE A CORRECTION FOR THE ETALON BLOCKSREFRACTIVE INDEX:ZARETANAKANOW, CONVERT PIXELS TO WAVELENGTH AND WAVENUMBERCONVERT TO CM-1ANALYSIS OF RESULTSNow, calculate B'The other X:Next, look at what appears to be the third set of X'sWe need more points.

Only exposures 700-4000Step 1Selection process:do nont lie along the Xsee ppt file "squares for 072307d2f v3.ppt"DL blocked at:157815847should use 1.0002724AND HIGHLIGHT THE ONESNow look at the fine splitting as a function of N"First, for the Dye laser axisNext, for the detection axisThen, use the boxes to look for relationships.One possibility is to go back to the original data

GOAL: Only include pixels 950-1150 that are clearly part of the X (see threshold plot)Only include Zare-identified peaks belowStep 2Here we use the following:315731648Delta in cols Z and AB reduced if use 1.000278THAT ARE PART OF THE X(according to the drawing of boxes)(Note: it looks relatively constant).Separate the two Xsw4 valuesand reduce the threshold for these Zare resonances.

First cut: Only peaks above 2500 counts below that are Zare-identifiedInclude only peaks above 2500 countsI had to add 3684 for completion of boxesNumber of boxes (4 per quantum number)4736474271.0002724THEN ENTER THE CORRESPONDING QUANTUM NUMBERS.N" according to boxesHere is the first one:For results in cm-1:Below are additional peaks found by doing so:

Second cut: Only include peaks that fall on the XNote: 2370 is not really resolvedI also added 3668, but its points may not be needed, except for the unidentified third X. Therefore, 3684 is given N"=12 designation (missing in both the Zare and Tanaka papers)Size of boxes (consistent for a given quantum number)CorrespondingInclude onlyetalon blockCorrespondingConvertZare valuesN"N'FZareTanakaTanakaseparationseparationAverageNote: average points if they disagree(Note: bottom vs top is based on best guesses)Threshold 2000 cts

First, show the old values are below:But 3668 is also very close to anticipated Zare resonance of N"=14 to N'=15. But perhaps its points don't line up in the X.Intensity of peaks (if too many boxes for a given quantum number)Dye Laserthe relevant onescorrectionDye LasertoDeltavaluesDeltabetween X'sbetween X'swidth ofFine splittingWidth of Xw3 valuesrising slopefalling slope

exposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightRelative spacing between boxes (consistent with spin-rotation coupling AND two neighboring X's).wavelengthExposure numberwavelengthwavenumberin cm-1in cm-1RPXCorresponds to R-Pbottomtopbottomtop

716970975111111147169709751111111471611111114593.8779114126593.87791141267160593.877911412616833.892201910316832.7216151.172201910316833.830.0622019103716593.8779114126560.75510402560.781083598971616833.892201910317828.240296245617827.4143586607559.9559.95560.4560.42

862974978Result:593.8342162809

91096511051108In addition to the two X's, I seem to see a third X that has a slightly different relationship between the B" and B' constants; the slope of the branches are different!593.8198507582N"

1037101610191058106211011105103710161019105910621101110510371016101911011105What is the cause of this third X?593.7818419792593.781841979210370593.781841979216836.615798980416836.56141320.055798980416836.590.02579898041037593.7818419792559.9324173577559.9583969365560.668505424560.7031448624103716836.615798980417854.434628009117853.606261662417830.993974336317829.892401029140.82836634671.101573307223.577257153123.440653672923.71386063341417854.434628009117830.993974336317853.606261662417829.892401029red1416836.6157989804560.31560.34

11711027103110781082borderline593.74173822830

121210631066single593.72946767760

1232102110251051105510951099approx 5000 counts12321021102410951099110611091232102110241095109911061109593.7234820431593.723482043112320593.723482043116838.270750911416838.24121110.030750911416838.250.02075091141232593.7234820431559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008123216838.270750911417853.054060132817852.225821882617832.646589537617831.544812034817829.617028968617828.7909638206120.82823825021.101777502820.544240221510.82831510450.2760708780.8264224820.550871732720.407470595220.68100984781217853.054060132817832.646589537620.4084169064500.408168338117852.225821882617831.544812034820.5436094204500.4108721884blue1216838.270750911417828.7624517829.58851560.24560.28

1300101810231051105610931097Superhuge13001018102310511056108110851092109713001018102310921097593.7031308859593.703130885913000593.703130885916838.847938865416838.8121120.047938865416838.820.02793886541300593.7031308859559.9497370769559.9930363749560.5905666876560.6338659856130016838.847938865417853.882375237317852.501892760617833.473012019617832.0956837676121.38048247671.377328252120.4077861054220.409363217720.40620899311217853.882375237317833.473012019617852.501892760617832.09568376761216838.8479388654560.25560.28560.5560.54

13271029103410701075borderlineSTEP 4:593.695050279300

14241027103110631066borderlineCreate a table of the newly assigned rotational peaks with their quantum numbers593.666019952100

1491102410281039104310871091huge1491102410281039104310871091109611001491102410281087109110961100Compare vibrational origin positions with that of Jost.593.6459680766593.645968076614910593.645968076616840.469369658516840.4110910.059369658516840.450.01936965851491593.6459680766560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644149116840.469369658517852.225821882617851.121623748417834.850553054217833.748503202417832.371132397717831.2693889315101.10419813421.102049851917.374194687210.55215029460.55208199230.5510760040.55100790117.375268828417.3731205461017852.225821882617834.850553054217.3758059737420.41370966617851.121623748417833.748503202417.3736575917420.4136585141green1016840.469369658517831.2408717832.34261560.14560.17560.23560.89560.92

1544102210261046105010861089SUPERHUGE (only take peaks >>3000 from now on)15441022102610461050108510891096154410221026108510891096593.6301061453593.630106145315440593.630106145316840.919350827816840.8810920.039350827816840.90.01935082781544593.6301061453559.9843765153560.0190159537560.5299476703560.5645871088560.625206126154416840.919350827817852.777972177217851.673705740717835.401629058317834.299511103317832.3711323977101.10426643651.102117954917.3752688782217.37634311917.37419463741017852.777972177217835.401629058317851.673705740717834.29951110331016840.919350827817832.34261560.2560.23

1739102910321042107910831090HUGE, and other big peaks to the right1739102910321036104210791083109017391029103210361042107910831090593.5717462091593.571746209117397593.573841181216842.515704401216842.448710.075704401216842.470.04570440121739593.5738411812560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684173916842.515704401217850.845595557317850.017562199717848.913637211317847.258005723617837.055061420517835.952739118617834.024002896880.82803335761.10232230213.92767860910.55206491870.27600258370.5512122480.551144119713.790534136814.0648230812817850.845595557317837.055061420513.7909604722340.405616484517850.017562199717835.952739118613.9272523132340.409625068purple816842.515704401217833.9954817847.2294617848.88509559.87559.91

178110271031103810421077108117811027103110381041107710811088178110271031103810411077108110881085593.5591763767593.559176376717817593.561271348816842.872377940816842.798720.082377940816842.820.05237794081781593.5612713488560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703178116842.872377940817851.397660476117850.293564783417848.361725919217847.533922974917837.606273668517836.503883238217834.575027822417835.401629058381.10409569271.102390430313.7905341763213.791386807513.7896815451817851.397660476117837.606273668517850.293564783417836.5038832382816842.872377940817834.546517835.373117847.5053717848.33318

179410311035slightly asymmetric, only 6000 counts593.555285714300

18221014101710571061only 4000 counts593.54690582600

187510261031only 4000 counts593.531043894700

19391023102610851089only 5000 counts593.511889864300

194410191023only 4000 counts593.510393455700

1954103310371044107210761082could two be overlapping?19541033103710441072107610821954103310371044107210761082593.5074006385593.507400638519547593.509495610516844.341692514116844.286510.061692514116844.310.03169251411954593.5094956105560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915195416844.341692514117849.741568151117848.637677298717846.706196813717838.984453346817837.881892568117836.228306920861.10389085231.102560778710.756449767410.27599404860.551928358510.757114804310.7557847306617849.741568151117838.984453346810.7572810828260.413741580117848.637677298717837.881892568110.6182950067260.4083959618yellow616844.341692514117836.1997817846.67765

198510311035107010741985101210561100103210351071107319851032103510711073593.498122905593.49812290519857593.500217877116844.60500718116844.526520.08500718116844.540.0650071811985593.5002178771560.0709751113560.0969546901560.4087096359560.4260293551198516844.60500718117850.017562199717849.189605657317839.260114838517838.708800374360.82795654250.551314464110.6191263221210.757447361210.4808052829617850.017562199717839.260114838517849.189605657317838.7088003743616844.605007181560.49

2162103910431048106510691074Triplet because two are overlapping?2162102410301039104310481065106910742162103910431048106510691074593.4451500399593.445150039921627593.44724501216846.108606694916846.034310.078606694916846.050.05860669492162593.447245012560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147216216846.108606694917848.085783072317846.982097003317845.602681353917840.914262713817839.81146338117838.433155920741.1036860691.10279933287.171076990410.55189422640.827751754400.27568705167.17152035867.1706336223417848.085783072317840.91426271387.4474674718180.413748192917846.982097003317839.8114633817.4466659737180.4137036652red416846.108606694917838.4046217838.6802717845.57414560.01560.06

2183103710401068107321831037104010681073218310371040106510681073593.4388651237593.438865123721837593.440960095816846.287017670916846.24320.087017670916846.220.06701767092183593.4409600958560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551218316846.287017670917848.637677298717847.809848757717840.914262713817840.087150432617838.708800374340.8278285410.82711228117.72305645527.7234145857.7226983251417848.637677298717840.914262713817847.809848757717840.0871504326416846.2870176709560.02560.05560.2

236310431048105210581063106723631043104810521058106310672363104310481052105810631067593.3849944134593.384994413423637593.387089385516847.816409637316847.82211-0.003590362716847.87-0.05359036272363593.3870893855560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975236316847.816409637317846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.1369678436217845.602681353917841.4657135103blue216847.816409637317840.3343117840.6100117844.47076

2370104710521063106623701047106310662370104710631066593.3828994413593.382899441323707593.384994413416847.875891601116847.822120.055891601116847.870.0058916011Not resolved2370593.3849944134560.2008730054560.3394307591560.3654103379560.2009 may be a doublet or triplet?237016847.875891601117845.878547424917841.465713510317840.638550098624.412833914522216847.8758916011560.16560.24560.3

248010611065593.349978451700

252810521056only 4000 counts593.33561292900

2562105110552562105110551099256210511055593.3254373504593.325437350425627593.327532322416849.507560661816850.370016850.31JOST'S VALUE = 16849.4622562593.3275323224560.2355124438560.2701518822256216849.507560661817844.775134311617843.6718576383IS THIS THE VIBRATIONAL ORIGIN? (N"=0 TO N'=0)01.1032766733000

2660104910531058only 4000 counts26601049105310582660104910531058593.2961077414593.296107741426607593.298202713516850.34051357716850.37011 or 2?16850.38TANAKA'S VALUE = 16850.372660593.2982027135560.2181927246560.252832163560.296131461266016850.34051357717845.326823811717844.223478921617842.8444896569IS THIS THE N"=0 TO N'=1 TRANSITION?1 or 2?0

266910311035only 4000 counts593.293414205900

277010321042borderline593.263186751800

282810261031only 4000 counts593.245828411800

2853104310481052105710631067Huge triplet because two are overlapping?28531043104810521058106310672853104310481052105810631067593.2383463687593.238346368728537593.240441340816851.981161669816851.99231-0.008838330216852-0.01883833022853593.2404413408560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975285316851.981161669817846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.136967843624.2200278584100.422002785817845.602681353917841.4657135103blue216851.981161669817844.4707617840.33431

2873104510471062106628731047106210662873104710621066593.2323607342593.232360734228737593.234455706316852.151195285516852.112320.041195285516852.150.00119528552873593.2344557063560.2008730054560.3307708994560.3654103379560.2009 may be a doublet?287316852.151195285517845.878547424917841.741451692617840.638550098624.137095732322216852.151195285517840.33431

292410401044borderline593.217097366300

292810221027borderline593.215900239400

301910381042borderline593.188665602600

302310151020borderline593.187468475700

3042103810421048106410691074Huge triplet because two are overlapping, more to the right30421038104210481064106910743042103810421048106410691074593.1817821229593.181782122930427593.18387709516853.588116345416853.554510.038116345416853.59-0.00188365463042593.183877095560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147304216853.588116345417848.361725919217847.258005723617845.602681353917841.189983850917839.81146338117838.433155920741.10372019561.37852046997.309142205510.55191129210.55184303410.27572965950.27568705167.17174206837.446542342647.5136026052180.41742236717848.361725919217841.18998385097.3098328846180.406101826917847.258005723617839.8114633817.5846203338180.4213677963red416853.588116345417845.5741417838.40462

30711036104010631068Huge3071103610401063106830711036104010631068593.1731029529593.173102952930717593.17519792516853.834713230716853.794520.044713230716853.85-0.01528676933071593.175197925560.1056145497560.1402539882560.3394307591560.3827300571307116853.834713230717848.913637211317847.809848757717841.465713510317840.087150432641.10378845361.37856307777.58531101327.44792370097.7226983251417848.913637211317841.465713510317847.809848757717840.0871504326416853.8347132307

308810181022only 5000 counts593.168015163600

309910351038borderline593.164723064600

310910171021borderline593.161730247400

31691034borderline593.14377334400

3232103310371072107610811044huge32321033103710431072107610813232103310371043107210761081593.1249185954593.1249185954323215593.129407821216855.135843860816855.116710.025843860816855.15-0.01415613923232593.1294078212560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319323216855.135843860817849.741568151117848.637677298717846.982097003317838.984453346817837.881892568117836.503883238261.10389085231.102560778710.756449767410.55199663230.55192835850.82701003420.551263352510.757114804310.7557847306610.8368455752260.416801752917849.741568151117838.984453346810.6196081033260.408446465517848.637677298717837.881892568110.7561172336260.4136968167yellow616855.135843860817846.9535517836.47535

323510111016only 4000 counts593.124020750200

32561016only 4000 counts593.11773583400

32731031103510691074SUPERHUGE327310311035104110691074327310311035104110691074593.1126480447593.1126480447327315593.117137270616855.484546984616855.446720.044546984616855.49-0.00545301543273593.1171372706560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147327316855.484546984617850.293564783417849.189605657317847.533922974917839.81146338117838.433155920761.10395912611.378307460310.6192755695210.482101402410.7564497366617850.293564783417839.81146338117849.189605657317838.4331559207616855.484546984617847.50537

3393102810321037104210781083huge339310281032103710411079108310871089339310281032103710411079108310871089593.0767342378593.0767342378339315593.081223463716856.505224410716856.468910.045224410716856.50.00522441073393593.0812234637560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088339316856.505224410717851.121623748417850.017562199717848.637677298717847.533922974917837.055061420517835.952739118617834.850553054217834.299511103381.10406154871.10232230214.065692704510.55208199230.55201370270.5512122480.551144119714.066562327914.0648230812814.0323492102340.412716153217851.121623748417837.055061420514.0669972340.413735211817850.017562199717835.952739118614.0652578727340.4136840551purple816856.505224410717847.5053717848.6091317834.2709817834.82203

34451026103010771081SUPERHUGE344510261030103810771081344510261030103810771081593.0611715882593.0611715882344515593.06566081416856.947556351816856.898920.057556351816856.930.01755635183445593.065660814560.0190159537560.0536553921560.122934269560.4606687935560.4953082319344516856.947556351817851.673705740717850.569575902417848.361725919217837.606273668517836.503883238281.10412983831.102390430314.0665623682214.067432072214.0656926642817851.673705740717837.606273668517850.569575902417836.5038832382816856.947556351817848.33318

35261024102810861090only 4000 counts352610241028103610381086109010961100352610241028103610381086109010961100593.0369297686593.0369297686352615593.041418994416857.636619660316857.59101110.046619660316857.65-0.01338033973526593.0414189944560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644352616857.636619660317852.225821882617851.121623748417848.913637211317848.361725919217835.126086799417834.024002896817832.371132397717831.2693889315101.10419813421.102083902617.098677967410.82823825020.82813579440.55109303180.826550157417.099735083217.09762085161017.2357715623420.410375513417852.225821882617835.126086799417.2383076924420.410435897417851.121623748417834.024002896817.09841367420.4071050874green1016857.636619660317848.3331817848.8850917831.2408717832.34261

35711025only 4000 counts593.02346209100

35951022102510841088SUPERHUGE359510101014102110251045104910611066108410871096359510211025108410871096593.0162793296593.0162793296359515593.020768555516858.223643950616858.2101120.023643950616858.210.01364395063595593.0207685555559.9757166557560.0103560941560.5212878107560.5472673895560.625206126359516858.223643950617853.054060132817851.949759542817835.677179831217834.850553054217832.3711323977101.104300590.826626776917.2380433951217.376880301617.09920648851017853.054060132817835.677179831217851.949759542817834.85055305421016858.223643950617832.34261

366810121017102210311035only 4000 counts366810121017102210311035110311073668592.9944317638592.9944317638366800

3684101810221058106210911096only 6000 counts3684101810221058106210911096110011053684101910221091109511001105592.9896432562592.9896432562368415592.99413248216858.9808805878121313684592.994132482559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624368416858.980880587817853.606261662417852.777972177217833.748503202417832.646589537617831.269388931517829.892401029120.82828948521.377200606221.234127685310.276113574900.55093981051.101743466320.959672124821.50858324581220.604475838500.412089516817853.606261662417832.646589537620.822259007500.416445180117852.777972177217831.269388931520.9577115126500.4191542303blue1216858.980880587817829.8638817831.24087

372710181022109310963727101810221092109637271018102210931096592.9767741421592.9767741421372715592.981263367916859.34676086516859.3121320.04676086516859.330.0167608653727592.9812633679559.9497370769559.9843765153560.5992265472560.625206126372716859.34676086517853.882375237317852.777972177217833.197529348217832.3711323977121.10440306010.8263969504220.684845889120.40683977951217853.882375237317833.197529348217852.777972177217832.37113239771216859.346760865

379710151018105810623797101510181058106210851090110011053797101510181085109011001105592.9558244214592.9558244214379715592.960313647216859.942413891316858.8114151.132413891316859.930.01241389133797592.9603136472559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624379716859.942413891317854.710767206817853.882375237317835.401629058317834.024002896817831.269388931517829.892401029140.82839196951.376987902523.715676241823.441378275423.98997420831417853.882375237317829.892401029red1416859.9424138913

383010131016only 4000 counts592.9459481245

4594.091The above separation isAboveAbove fine splitting results do not show aSpacing values not very consistent.ave =ave =ave =

5016592.591relatively constant with aisconsistent trend where the splitting isValues for series 3 and 4 > values for series 1 &20.41523468150.41101488430.4131263383

101710221031103511031107value of roughly 1 cm-1uselessrelated to N".Not sure why.but it could be related to the distorted X shape(Zare and Tanaka's are 0.422.stdev=stdev=

average =average =for the separation between(compression of the X as the w4 wavelength decreases; a sign of vibration-rotation interaction?)Perhaps they also have higher order terms).0.00376196860.0044905101

0.09174853570.0153485357the two X's.Plot is above

ave without end vals:0.0483874792stdev =0.0294636273It shows that B' decreases with N", which is probably

Recall that 1 pixel is roughly 0.3 cm-1a sign of centrifugal distortion

wavelength accuracy of scanmate is 5PMIf that is the case, then the value of B'=0.422 for the lower N"=2 might be better

which is roughly 0.15 cm-1which is more consistent with Zare's and Tanaka's values

above deltas are both within the accuracy of the scanmate

(Repeated OGE scans on 110907d3 indicates a total dye laser deviation of 3pm during repeated short runs with MES)Measured

Therefore, accuracy is specified to within 5PM after correction by OGE (due to mechanical reproducibility of DL)VIBRATIONAL ORIGINS:

16849.507560661817844.7751343116is this a vibrational origin?

wavelength accuracy of 821 is 1PM17843.6718576383

which is roughly 0.03 cm-1

Tanaka delta is within accuracy of the 821

Literature values from Jost 1995:

16849.46217843.646

17842.578

Although Zare's paper has more quantum numbers,from Zare:

our results generally agree better with Tanaka's work.16849.48

Our results deviate from Zare's strongly for N'=15 (both P and R)From Tanaka::

16849.502

Tanaka's paper indicates the error is to within 1GHz (0.03 cm-1)But the accuracy of the Jost values is better than that for Tanaka and Zare: ring laser vs. pulsed; better wavemeter

Zare's paper indicates accuracy is to within 0.1 angstroms (0.3 cm-1)DELTA in cm-1

0.04556066181.1291343116

1.0938576383

DL error is around 1.5PM; within tolerance of DL and close to that of 821

Mchr error is less than 0.01 nm; within expected tolerance

(Observed mchr reproducibility and accuracy is usually +/- 20 pm)

Using the 821, usually observe that the OGE resonance is 2-4 pm higher than the literature valueThe two new X's do not show sign of centrifugal distortion

Could the new vibrational origin be RECARS?

Take the difference between w3 and w4:

995.2675736498cm-1

Is there a vibration with this frequency?

No they are at 750, 1325, and 1633 cm-1

Difference between our vibrational origin and Jost's is 0.046 cm-1.

The step size of the Dl was 0.0003 nm, which is roughly 0.01 cm-1

Therefore, disagreement corresponds to 4-5 step sizes.

Ours might be better because ours is a direct measurement

Note also the disagreement between the Zare, Tanaka, and Jost vibrational origins.

Sheet1

101610191058106211011105

102710311078108211711171

121212121063106612121212

102110251051105510951099

101810231051105610931097

102910341070107513271327

102710311063106614241424

102410281039104310871091

102210261046105010861089

102910321042107910831090

102710311038104210771081

103110351794179417941794

101410171057106118221822

102610311875187518751875

102310261085108919391939

101910231944194419441944

103310371044107210761082

103110351070107419851985

103910431048106510691074

103710401068107321832183

104310481052105810631067

104710521063106623702370

106110652480248024802480

252825281052105625282528

105110552562256225622562

104910531058266026602660

103110352669266926692669

103210422770277027702770

102610312828282828282828

104310481052105710631067

104510471062106628732873

292410401044292429242924

102210272928292829282928

103810423019301930193019

101510203023302330233023

103810421048106410691074

103610401063106830713071

101810223088308830883088

103510383099309930993099

101710213109310931093109

103431693169316931693169

103310371072107610811044

101110163235323532353235

101632563256325632563256

103110351069107432733273

102810321037104210781083

102610301077108134453445

102410281086109035263526

102535713571357135713571

102210251084108835953595

101210171022103110353668

101810221058106210911096

101810221093109637273727

101510181058106237973797

101310163830383038303830

Sheet2

101610191059106211011105103710371037103710371037

102110241095109911061109123212321232123212321232

101810231051105610811085109210971097130013001300

102410281039104310871091109611001100149114911491

102210261046105010851089109615441544154415441544

102910321036104210791083109017391739173917391739

102710311038104110771081108817811781178117811781

103310371044107210761082195419541954195419541954

101210561100103210351071107319851985198519851985

102410301039104310481065106910741074216221622162

103710401068107321832183218321832183218321832183

104310481052105810631067236323632363236323632363

104710631066237023702370237023702370237023702370

105110551099256225622562256225622562256225622562

104910531058266026602660266026602660266026602660

104310481052105810631067285328532853285328532853

104710621066287328732873287328732873287328732873

103810421048106410691074304230423042304230423042

103610401063106830713071307130713071307130713071

103310371043107210761081323232323232323232323232

103110351041106910743273327332733273327332733273

102810321037104110791083108710891089339333933393

102610301038107710813445344534453445344534453445

102410281036103810861090109611001100352635263526

101010141021102510451049106110661066108410871096

101210171022103110351103110736683668366836683668

101810221058106210911096110011051105368436843684

101810221092109637273727372737273727372737273727

101510181058106210851090110011051105379737973797

Sheet3

111111

11111111111

11111114716716716716716716716716716

10161019110111051037103710371037103710371037

10211024109510991106110912321232123212321232

10181023109210971300130013001300130013001300

10241028108710911096110014911491149114911491

10221026108510891096154415441544154415441544

10291032103610421079108310901739173917391739

10271031103810411077108110881085178117811781

10331037104410721076108219541954195419541954

10321035107110731985198519851985198519851985

10391043104810651069107421622162216221622162

10371040106510681073218321832183218321832183

10431048105210581063106723632363236323632363

10471063106623702370237023702370237023702370

10511055256225622562256225622562256225622562

10491053105826602660266026602660266026602660

10431048105210581063106728532853285328532853

10471062106628732873287328732873287328732873

10381042104810641069107430423042304230423042

10361040106310683071307130713071307130713071

10331037104310721076108132323232323232323232

10311035104110691074327332733273327332733273

10281032103710411079108310871089339333933393

10261030103810771081344534453445344534453445

10241028103610381086109010961100352635263526

10211025108410871096359535953595359535953595

36683668366836683668366836683668366836683668

10191022109110951100110536843684368436843684

10181022109310963727372737273727372737273727

10151018108510901100110537973797379737973797

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0000

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

0

N"

B'

00

00

00

00

00

00

00

00

00

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00

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00

N"

B'

Here are all of them:

(points greater than 2500 for the Zare identified exposure numbers)

Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight

716970343797542841111390411144435

1038101635441019386810596191106266371101667211057480

1232102128701024292010954391109947921106246211092849

13001018860610231027010513850105637061081391610854414109220867109725105

1491102444421028509410394930104333681087200231091194931096640111007335

1544102214792102615864104687121050963410854811610894885410965665

1740102914048103215643103656611042667010791648110831945310907268

1781102712482103113170103851821041465910772415310812962210884169

19541033766510378266104436321072866210761346110829504

198510123072105629221100248510328423103592351071918310739928

216210242928103030621039378010435721104847321065552510691057710747482

218310375514104063911068552110733781

2363104338811048621310524037105839701063783310675227

2370104727151063345710662674

2562105161141055601310993694

285310439851104818993105211308105829931063579710674239

2873104774181062520410664475

3042103811681104219197104813982106453371069983510746822

30711036150471040176981063322810684229

3232103320504103720842104384931072691510761082010817260

327310313037210353185110414486106910821107412480

33931028200321032225721037776610418242107999981083995410894376

344510264156110304271210386181107714772108115129

35261024419610274519103631781038316710873929109044011096248911002467

359510105036101459981021281211025334431045434510494610106129731066340810842116110872189610964590

372710188641102296571092652810967507

37971015606110187277105840521062451710852464109027271100389611054722

NEXT, REMOVE ALL THAT ARE BELOW 7000

Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight

10383544386810596191106266371101667211057480

123228702920109543911099479224622849

1300101886061023102701051385010563706391610854414109220867109725105

14914442102850941039493033681087200231091194931096640111007335

1544102214792102615864104687121050963410854811610894885410965665

1740102914048103215643103656611042667010791648110831945310907268

1781102712482103113170103851821041465910772415310812962210884169

1954103376651037826636321072866210761346110829504

198530722922248510328423103592351071918310739928

216229283062378010435721104847321065552510691057710747482

2183551410406391106855213781

23633881104862131052403739701063783310675227

2562611460133694

28531043985110481899310521130829931063579710674239

287310477418520410664475

3042103811681104219197104813982106453371069983510746822

3071103615047104017698322810684229

3232103320504103720842104384931072691510761082010817260

327310313037210353185110414486106910821107412480

33931028200321032225721037776610418242107999981083995410894376

344510264156110304271210386181107714772108115129

35955036599810212812110253344310454345104946102973340810842116110872189610964590

372710188641102296571092652810967507

3797606110187277105840521062451724642727389611054722

All points

Points above 4000

Problem: some of the unwanted peaks are above 6000, but eliminating all peaks below 7000 removes some important peaks from the X.

So the strategy should be to include all of the ones above 2500, but then to eliminate based upon the following:

1) position along the X

2) ability to find other 3 partners

3) anticipated spin-rotation coupling

4) expected box sizes and positions (due to the presence of two adjacent X's).

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Analysis of 072307d2f.datoriginal designation on sheet 1Conclusion:

Only exposures 700-4000when comparison with Zare conductedK=1 and 2 are not clearly and consistently seen in the CDRES spectrum

PURPOSE: LOOK FOR K=1 AND K=2 SUBBANDSbefore comparison with Tanakawhen a threshold of 2500 is used.

Below are all peaks above 2500 counts1.0002724

etalonConvertUSE TANAKAUSE ZAREN"N'F

blocktoN" FOR SUBBANDonly for

exposurecorrectionwavelengthwavenumberK=0K=1K=2K=1

716593.877911412616833.8922019103161615

862593.834216280916835.130862661718

910593.819850758216835.5381334106

1037593.781841979216836.61579898041414132

1171593.741738228316837.7530130319

1212593.729467677616838.1009972787

1232593.723482043116838.27075091141212111

1300593.703130885916838.84793886541212112

1327593.695050279316839.077127410611

1424593.666019952116839.900559951

1491593.645968076616840.4693696585101091

1544593.630106145316840.9193508278101092

17397593.573841181216842.51570440128871

17817593.561271348816842.87237794088872

17947593.557380686416842.982779955210

18227593.549000798116843.220573824977

18757593.533138866716843.6707020338

19397593.513984836416844.2142851467

19447593.512488427816844.256754055

19547593.509495610516844.34169251416651

19857593.500217877116844.6050071816652

21627593.44724501216846.10860669494431

21837593.440960095816846.28701767094432

23637593.387089385516847.8164096373221

23707593.384994413416847.8758916011221

24807593.352073423816848.8106633366

25287593.33770790116849.2185962382

25627593.327532322416849.507560661800

26607593.298202713516850.340513577001

26697593.29550917816850.41701338180Not sure about this one; w4 value looks like it is in the wrong place. Therefore, agree with Zare but not Tanaka

27707593.265281723916851.2755588297

28287593.247923383916851.7686244752

28537593.240441340816851.9811616698223

28737593.234455706316852.1511952855223

29247593.219192338416852.58479653643

29287593.217995211516852.618805421333

30197593.190760574616853.39254463644

30237593.189563447716853.4265567815

30427593.18387709516853.5881163454445

30717593.17519792516853.8347132307445

30887593.170110135716853.979273380655

30997593.166818036716854.0728136225

31097593.163825219516854.15785110715

316915593.148262569816854.6000598603

323215593.129407821216855.1358438608667

323515593.128509976116855.161358234377

325615593.122225059916855.339961011677

327315593.117137270616855.4845469846667

339315593.081223463716856.5052244107889

344515593.06566081416856.9475563518889

352615593.041418994416857.6366196603101011

357115593.027951316816858.0194569518

359515593.020768555516858.2236439506101011

366815592.998920989616858.8447431432

368415592.99413248216858.9808805878131213my new assignment

372715592.981263367916859.346760865121213

379715592.960313647216859.9424138913141415

383015592.950437350416860.2232363451

2D plot of relevant peaks above 2500 ctsl4l1

Chart6

560.75510402560.7810835989593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126593.8779114126

559.9324173577559.9583969365560.668505424560.7031448624593.7818419792593.7818419792593.7818419792593.7818419792

559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008593.7234820431593.7234820431

559.9497370769559.9930363749560.5905666876560.6338659856593.7031308859593.7031308859593.7031308859593.7031308859

560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644593.6459680766593.6459680766

559.9843765153560.0190159537560.5299476703560.5645871088560.625206126593.6301061453593.6301061453593.6301061453

560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684593.5738411812

560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703

560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915593.5094956105593.5094956105

560.0709751113560.0969546901560.4087096359560.4260293551593.5002178771593.5002178771593.5002178771593.5002178771

560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147593.447245012593.447245012

560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551593.4409600958593.4409600958593.4409600958

560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.3870893855593.3870893855

560.2008730054560.3394307591560.3654103379593.3849944134593.3849944134593.3849944134593.3849944134593.3849944134

560.2355124438560.2701518822593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224593.3275323224

560.2181927246560.252832163560.296131461593.2982027135593.2982027135593.2982027135593.2982027135593.2982027135

560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975593.2404413408593.2404413408

560.2008730054560.3307708994560.3654103379593.2344557063593.2344557063593.2344557063593.2344557063593.2344557063

560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147593.183877095593.183877095

560.1056145497560.1402539882560.3394307591560.3827300571593.175197925593.175197925593.175197925593.175197925

560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319593.1294078212593.1294078212

560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147593.1171372706593.1171372706593.1171372706

560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088

560.0190159537560.0536553921560.122934269560.4606687935560.4953082319593.065660814593.065660814593.065660814

560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644

559.9757166557560.0103560941560.5212878107560.5472673895560.625206126593.0207685555593.0207685555593.0207685555

559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624592.994132482592.994132482

559.9497370769559.9843765153560.5992265472560.625206126592.9812633679592.9812633679592.9812633679592.9812633679

559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624592.9603136472592.9603136472

Sheet1

Analysis of 072307d2f.datConducted on 051208NEW VALUES:Next, remove the ones thatSTEP 3: use boxesNOW, MAKE A CORRECTION FOR THE ETALON BLOCKSREFRACTIVE INDEX:ZARETANAKANOW, CONVERT PIXELS TO WAVELENGTH AND WAVENUMBERCONVERT TO CM-1ANALYSIS OF RESULTSNow, calculate B'The other X:Next, look at what appears to be the third set of X'sWe need more points.

Only exposures 700-4000Step 1Selection process:do nont lie along the Xsee ppt file "squares for 072307d2f v3.ppt"DL blocked at:157815847should use 1.0002724AND HIGHLIGHT THE ONESNow look at the fine splitting as a function of N"First, for the Dye laser axisNext, for the detection axisThen, use the boxes to look for relationships.One possibility is to go back to the original data

GOAL: Only include pixels 950-1150 that are clearly part of the X (see threshold plot)Only include Zare-identified peaks belowStep 2Here we use the following:315731648Delta in cols Z and AB reduced if use 1.000278THAT ARE PART OF THE X(according to the drawing of boxes)(Note: it looks relatively constant).Separate the two Xsw4 valuesand reduce the threshold for these Zare resonances.

First cut: Only peaks above 2500 counts below that are Zare-identifiedInclude only peaks above 2500 countsI had to add 3684 for completion of boxesNumber of boxes (4 per quantum number)4736474271.0002724THEN ENTER THE CORRESPONDING QUANTUM NUMBERS.N" according to boxesHere is the first one:For results in cm-1:Below are additional peaks found by doing so:

Second cut: Only include peaks that fall on the XNote: 2370 is not really resolvedI also added 3668, but its points may not be needed, except for the unidentified third X. Therefore, 3684 is given N"=12 designation (missing in both the Zare and Tanaka papers)Size of boxes (consistent for a given quantum number)CorrespondingInclude onlyetalon blockCorrespondingConvertZare valuesN"N'FZareTanakaTanakaseparationseparationAverageNote: average points if they disagree(Note: bottom vs top is based on best guesses)Threshold 2000 cts

First, show the old values are below:But 3668 is also very close to anticipated Zare resonance of N"=14 to N'=15. But perhaps its points don't line up in the X.Intensity of peaks (if too many boxes for a given quantum number)Dye Laserthe relevant onescorrectionDye LasertoDeltavaluesDeltabetween X'sbetween X'swidth ofFine splittingWidth of Xw3 valuesrising slopefalling slope

exposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightexposureCCD leftCCD rightCCD leftCCD rightRelative spacing between boxes (consistent with spin-rotation coupling AND two neighboring X's).wavelengthExposure numberwavelengthwavenumberin cm-1in cm-1RPXCorresponds to R-Pbottomtopbottomtop

716970975111111147169709751111111471611111114593.8779114126593.87791141267160593.877911412616833.892201910316832.7216151.172201910316833.830.0622019103716593.8779114126560.75510402560.781083598971616833.892201910317828.240296245617827.4143586607559.9559.95560.4560.42

862974978Result:593.8342162809

91096511051108In addition to the two X's, I seem to see a third X that has a slightly different relationship between the B" and B' constants; the slope of the branches are different!593.8198507582N"

1037101610191058106211011105103710161019105910621101110510371016101911011105What is the cause of this third X?593.7818419792593.781841979210370593.781841979216836.615798980416836.56141320.055798980416836.590.02579898041037593.7818419792559.9324173577559.9583969365560.668505424560.7031448624103716836.615798980417854.434628009117853.606261662417830.993974336317829.892401029140.82836634671.101573307223.577257153123.440653672923.71386063341417854.434628009117830.993974336317853.606261662417829.892401029red1416836.6157989804560.31560.34

11711027103110781082borderline593.74173822830

121210631066single593.72946767760

1232102110251051105510951099approx 5000 counts12321021102410951099110611091232102110241095109911061109593.7234820431593.723482043112320593.723482043116838.270750911416838.24121110.030750911416838.250.02075091141232593.7234820431559.9757166557560.0016962345560.6165462664560.6511857048560.711804722560.7377843008123216838.270750911417853.054060132817852.225821882617832.646589537617831.544812034817829.617028968617828.7909638206120.82823825021.101777502820.544240221510.82831510450.2760708780.8264224820.550871732720.407470595220.68100984781217853.054060132817832.646589537620.4084169064500.408168338117852.225821882617831.544812034820.5436094204500.4108721884blue1216838.270750911417828.7624517829.58851560.24560.28

1300101810231051105610931097Superhuge13001018102310511056108110851092109713001018102310921097593.7031308859593.703130885913000593.703130885916838.847938865416838.8121120.047938865416838.820.02793886541300593.7031308859559.9497370769559.9930363749560.5905666876560.6338659856130016838.847938865417853.882375237317852.501892760617833.473012019617832.0956837676121.38048247671.377328252120.4077861054220.409363217720.40620899311217853.882375237317833.473012019617852.501892760617832.09568376761216838.8479388654560.25560.28560.5560.54

13271029103410701075borderlineSTEP 4:593.695050279300

14241027103110631066borderlineCreate a table of the newly assigned rotational peaks with their quantum numbers593.666019952100

1491102410281039104310871091huge1491102410281039104310871091109611001491102410281087109110961100Compare vibrational origin positions with that of Jost.593.6459680766593.645968076614910593.645968076616840.469369658516840.4110910.059369658516840.450.01936965851491593.6459680766560.0016962345560.0363356729560.5472673895560.581906828560.625206126560.6598455644149116840.469369658517852.225821882617851.121623748417834.850553054217833.748503202417832.371132397717831.2693889315101.10419813421.102049851917.374194687210.55215029460.55208199230.5510760040.55100790117.375268828417.3731205461017852.225821882617834.850553054217.3758059737420.41370966617851.121623748417833.748503202417.3736575917420.4136585141green1016840.469369658517831.2408717832.34261560.14560.17560.23560.89560.92

1544102210261046105010861089SUPERHUGE (only take peaks >>3000 from now on)15441022102610461050108510891096154410221026108510891096593.6301061453593.630106145315440593.630106145316840.919350827816840.8810920.039350827816840.90.01935082781544593.6301061453559.9843765153560.0190159537560.5299476703560.5645871088560.625206126154416840.919350827817852.777972177217851.673705740717835.401629058317834.299511103317832.3711323977101.10426643651.102117954917.3752688782217.37634311917.37419463741017852.777972177217835.401629058317851.673705740717834.29951110331016840.919350827817832.34261560.2560.23

1739102910321042107910831090HUGE, and other big peaks to the right1739102910321036104210791083109017391029103210361042107910831090593.5717462091593.571746209117397593.573841181216842.515704401216842.448710.075704401216842.470.04570440121739593.5738411812560.0449955325560.0709751113560.1056145497560.1575737074560.4779885127560.5126279511560.5732469684173916842.515704401217850.845595557317850.017562199717848.913637211317847.258005723617837.055061420517835.952739118617834.024002896880.82803335761.10232230213.92767860910.55206491870.27600258370.5512122480.551144119713.790534136814.0648230812817850.845595557317837.055061420513.7909604722340.405616484517850.017562199717835.952739118613.9272523132340.409625068purple816842.515704401217833.9954817847.2294617848.88509559.87559.91

178110271031103810421077108117811027103110381041107710811088178110271031103810411077108110881085593.5591763767593.559176376717817593.561271348816842.872377940816842.798720.082377940816842.820.05237794081781593.5612713488560.0276758133560.0623152517560.122934269560.1489138478560.4606687935560.4953082319560.5559272492560.5299476703178116842.872377940817851.397660476117850.293564783417848.361725919217847.533922974917837.606273668517836.503883238217834.575027822417835.401629058381.10409569271.102390430313.7905341763213.791386807513.7896815451817851.397660476117837.606273668517850.293564783417836.5038832382816842.872377940817834.546517835.373117847.5053717848.33318

179410311035slightly asymmetric, only 6000 counts593.555285714300

18221014101710571061only 4000 counts593.54690582600

187510261031only 4000 counts593.531043894700

19391023102610851089only 5000 counts593.511889864300

194410191023only 4000 counts593.510393455700

1954103310371044107210761082could two be overlapping?19541033103710441072107610821954103310371044107210761082593.5074006385593.507400638519547593.509495610516844.341692514116844.286510.061692514116844.310.03169251411954593.5094956105560.0796349709560.1142744093560.1748934266560.4173694955560.4520089339560.5039680915195416844.341692514117849.741568151117848.637677298717846.706196813717838.984453346817837.881892568117836.228306920861.10389085231.102560778710.756449767410.27599404860.551928358510.757114804310.7557847306617849.741568151117838.984453346810.7572810828260.413741580117848.637677298717837.881892568110.6182950067260.4083959618yellow616844.341692514117836.1997817846.67765

198510311035107010741985101210561100103210351071107319851032103510711073593.498122905593.49812290519857593.500217877116844.60500718116844.526520.08500718116844.540.0650071811985593.5002178771560.0709751113560.0969546901560.4087096359560.4260293551198516844.60500718117850.017562199717849.189605657317839.260114838517838.708800374360.82795654250.551314464110.6191263221210.757447361210.4808052829617850.017562199717839.260114838517849.189605657317838.7088003743616844.605007181560.49

2162103910431048106510691074Triplet because two are overlapping?2162102410301039104310481065106910742162103910431048106510691074593.4451500399593.445150039921627593.44724501216846.108606694916846.034310.078606694916846.050.05860669492162593.447245012560.1315941286560.166233567560.209532865560.3567504783560.3913899167560.4346892147216216846.108606694917848.085783072317846.982097003317845.602681353917840.914262713817839.81146338117838.433155920741.1036860691.10279933287.171076990410.55189422640.827751754400.27568705167.17152035867.1706336223417848.085783072317840.91426271387.4474674718180.413748192917846.982097003317839.8114633817.4466659737180.4137036652red416846.108606694917838.4046217838.6802717845.57414560.01560.06

2183103710401068107321831037104010681073218310371040106510681073593.4388651237593.438865123721837593.440960095816846.287017670916846.24320.087017670916846.220.06701767092183593.4409600958560.1142744093560.1402539882560.3567504783560.3827300571560.4260293551218316846.287017670917848.637677298717847.809848757717840.914262713817840.087150432617838.708800374340.8278285410.82711228117.72305645527.7234145857.7226983251417848.637677298717840.914262713817847.809848757717840.0871504326416846.2870176709560.02560.05560.2

236310431048105210581063106723631043104810521058106310672363104310481052105810631067593.3849944134593.384994413423637593.387089385516847.816409637316847.82211-0.003590362716847.87-0.05359036272363593.3870893855560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975236316847.816409637317846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.1369678436217845.602681353917841.4657135103blue216847.816409637317840.3343117840.6100117844.47076

2370104710521063106623701047106310662370104710631066593.3828994413593.382899441323707593.384994413416847.875891601116847.822120.055891601116847.870.0058916011Not resolved2370593.3849944134560.2008730054560.3394307591560.3654103379560.2009 may be a doublet or triplet?237016847.875891601117845.878547424917841.465713510317840.638550098624.412833914522216847.8758916011560.16560.24560.3

248010611065593.349978451700

252810521056only 4000 counts593.33561292900

2562105110552562105110551099256210511055593.3254373504593.325437350425627593.327532322416849.507560661816850.370016850.31JOST'S VALUE = 16849.4622562593.3275323224560.2355124438560.2701518822256216849.507560661817844.775134311617843.6718576383IS THIS THE VIBRATIONAL ORIGIN? (N"=0 TO N'=0)01.1032766733000

2660104910531058only 4000 counts26601049105310582660104910531058593.2961077414593.296107741426607593.298202713516850.34051357716850.37011 or 2?16850.38TANAKA'S VALUE = 16850.372660593.2982027135560.2181927246560.252832163560.296131461266016850.34051357717845.326823811717844.223478921617842.8444896569IS THIS THE N"=0 TO N'=1 TRANSITION?1 or 2?0

266910311035only 4000 counts593.293414205900

277010321042borderline593.263186751800

282810261031only 4000 counts593.245828411800

2853104310481052105710631067Huge triplet because two are overlapping?28531043104810521058106310672853104310481052105810631067593.2383463687593.238346368728537593.240441340816851.981161669816851.99231-0.008838330216852-0.01883833022853593.2404413408560.166233567560.209532865560.2441723034560.296131461560.3394307591560.3740701975285316851.981161669817846.982097003317845.602681353917844.499302353117842.844489656917841.465713510317840.36284600521.37941564941.37877614654.13728759514.13760734654.136967843624.2200278584100.422002785817845.602681353917841.4657135103blue216851.981161669817844.4707617840.33431

2873104510471062106628731047106210662873104710621066593.2323607342593.232360734228737593.234455706316852.151195285516852.112320.041195285516852.150.00119528552873593.2344557063560.2008730054560.3307708994560.3654103379560.2009 may be a doublet?287316852.151195285517845.878547424917841.741451692617840.638550098624.137095732322216852.151195285517840.33431

292410401044borderline593.217097366300

292810221027borderline593.215900239400

301910381042borderline593.188665602600

302310151020borderline593.187468475700

3042103810421048106410691074Huge triplet because two are overlapping, more to the right30421038104210481064106910743042103810421048106410691074593.1817821229593.181782122930427593.18387709516853.588116345416853.554510.038116345416853.59-0.00188365463042593.183877095560.122934269560.1575737074560.209532865560.3480906187560.3913899167560.4346892147304216853.588116345417848.361725919217847.258005723617845.602681353917841.189983850917839.81146338117838.433155920741.10372019561.37852046997.309142205510.55191129210.55184303410.27572965950.27568705167.17174206837.446542342647.5136026052180.41742236717848.361725919217841.18998385097.3098328846180.406101826917847.258005723617839.8114633817.5846203338180.4213677963red416853.588116345417845.5741417838.40462

30711036104010631068Huge3071103610401063106830711036104010631068593.1731029529593.173102952930717593.17519792516853.834713230716853.794520.044713230716853.85-0.01528676933071593.175197925560.1056145497560.1402539882560.3394307591560.3827300571307116853.834713230717848.913637211317847.809848757717841.465713510317840.087150432641.10378845361.37856307777.58531101327.44792370097.7226983251417848.913637211317841.465713510317847.809848757717840.0871504326416853.8347132307

308810181022only 5000 counts593.168015163600

309910351038borderline593.164723064600

310910171021borderline593.161730247400

31691034borderline593.14377334400

3232103310371072107610811044huge32321033103710431072107610813232103310371043107210761081593.1249185954593.1249185954323215593.129407821216855.135843860816855.116710.025843860816855.15-0.01415613923232593.1294078212560.0796349709560.1142744093560.166233567560.4173694955560.4520089339560.4953082319323216855.135843860817849.741568151117848.637677298717846.982097003317838.984453346817837.881892568117836.503883238261.10389085231.102560778710.756449767410.55199663230.55192835850.82701003420.551263352510.757114804310.7557847306610.8368455752260.416801752917849.741568151117838.984453346810.6196081033260.408446465517848.637677298717837.881892568110.7561172336260.4136968167yellow616855.135843860817846.9535517836.47535

323510111016only 4000 counts593.124020750200

32561016only 4000 counts593.11773583400

32731031103510691074SUPERHUGE327310311035104110691074327310311035104110691074593.1126480447593.1126480447327315593.117137270616855.484546984616855.446720.044546984616855.49-0.00545301543273593.1171372706560.0623152517560.0969546901560.1489138478560.3913899167560.4346892147327316855.484546984617850.293564783417849.189605657317847.533922974917839.81146338117838.433155920761.10395912611.378307460310.6192755695210.482101402410.7564497366617850.293564783417839.81146338117849.189605657317838.4331559207616855.484546984617847.50537

3393102810321037104210781083huge339310281032103710411079108310871089339310281032103710411079108310871089593.0767342378593.0767342378339315593.081223463716856.505224410716856.468910.045224410716856.50.00522441073393593.0812234637560.0363356729560.0709751113560.1142744093560.1489138478560.4779885127560.5126279511560.5472673895560.5645871088339316856.505224410717851.121623748417850.017562199717848.637677298717847.533922974917837.055061420517835.952739118617834.850553054217834.299511103381.10406154871.10232230214.065692704510.55208199230.55201370270.5512122480.551144119714.066562327914.0648230812814.0323492102340.412716153217851.121623748417837.055061420514.0669972340.413735211817850.017562199717835.952739118614.0652578727340.4136840551purple816856.505224410717847.5053717848.6091317834.2709817834.82203

34451026103010771081SUPERHUGE344510261030103810771081344510261030103810771081593.0611715882593.0611715882344515593.06566081416856.947556351816856.898920.057556351816856.930.01755635183445593.065660814560.0190159537560.0536553921560.122934269560.4606687935560.4953082319344516856.947556351817851.673705740717850.569575902417848.361725919217837.606273668517836.503883238281.10412983831.102390430314.0665623682214.067432072214.0656926642817851.673705740717837.606273668517850.569575902417836.5038832382816856.947556351817848.33318

35261024102810861090only 4000 counts352610241028103610381086109010961100352610241028103610381086109010961100593.0369297686593.0369297686352615593.041418994416857.636619660316857.59101110.046619660316857.65-0.01338033973526593.0414189944560.0016962345560.0363356729560.1056145497560.122934269560.5386075299560.5732469684560.625206126560.6598455644352616857.636619660317852.225821882617851.121623748417848.913637211317848.361725919217835.126086799417834.024002896817832.371132397717831.2693889315101.10419813421.102083902617.098677967410.82823825020.82813579440.55109303180.826550157417.099735083217.09762085161017.2357715623420.410375513417852.225821882617835.126086799417.2383076924420.410435897417851.121623748417834.024002896817.09841367420.4071050874green1016857.636619660317848.3331817848.8850917831.2408717832.34261

35711025only 4000 counts593.02346209100

35951022102510841088SUPERHUGE359510101014102110251045104910611066108410871096359510211025108410871096593.0162793296593.0162793296359515593.020768555516858.223643950616858.2101120.023643950616858.210.01364395063595593.0207685555559.9757166557560.0103560941560.5212878107560.5472673895560.625206126359516858.223643950617853.054060132817851.949759542817835.677179831217834.850553054217832.3711323977101.104300590.826626776917.2380433951217.376880301617.09920648851017853.054060132817835.677179831217851.949759542817834.85055305421016858.223643950617832.34261

366810121017102210311035only 4000 counts366810121017102210311035110311073668592.9944317638592.9944317638366800

3684101810221058106210911096only 6000 counts3684101810221058106210911096110011053684101910221091109511001105592.9896432562592.9896432562368415592.99413248216858.9808805878121313684592.994132482559.9583969365559.9843765153560.581906828560.6165462664560.6598455644560.7031448624368416858.980880587817853.606261662417852.777972177217833.748503202417832.646589537617831.269388931517829.892401029120.82828948521.377200606221.234127685310.276113574900.55093981051.101743466320.959672124821.50858324581220.604475838500.412089516817853.606261662417832.646589537620.822259007500.416445180117852.777972177217831.269388931520.9577115126500.4191542303blue1216858.980880587817829.8638817831.24087

372710181022109310963727101810221092109637271018102210931096592.9767741421592.9767741421372715592.981263367916859.34676086516859.3121320.04676086516859.330.0167608653727592.9812633679559.9497370769559.9843765153560.5992265472560.625206126372716859.34676086517853.882375237317852.777972177217833.197529348217832.3711323977121.10440306010.8263969504220.684845889120.40683977951217853.882375237317833.197529348217852.777972177217832.37113239771216859.346760865

379710151018105810623797101510181058106210851090110011053797101510181085109011001105592.9558244214592.9558244214379715592.960313647216859.942413891316858.8114151.132413891316859.930.01241389133797592.9603136472559.9237574981559.9497370769560.5299476703560.5732469684560.6598455644560.7031448624379716859.942413891317854.710767206817853.882375237317835.401629058317834.024002896817831.269388931517829.892401029140.82839196951.376987902523.715676241823.441378275423.98997420831417853.882375237317829.892401029red1416859.9424138913

383010131016only 4000 counts592.9459481245

4594.091The above separation isAboveAbove fine splitting results do not show aSpacing values not very consistent.ave =ave =ave =

5016592.591relatively constant with aisconsistent trend where the splitting isValues for series 3 and 4 > values for series 1 &20.41523468150.41101488430.4131263383

101710221031103511031107value of roughly 1 cm-1uselessrelated to N".Not sure why.but it could be related to the distorted X shape(Zare and Tanaka's are 0.422.stdev=stdev=

average =average =for the separation between(compression of the X as the w4 wavelength decreases; a sign of vibration-rotation interaction?)Perhaps they also have higher order terms).0.00376196860.0044905101

0.09174853570.0153485357the two X's.Plot is above

ave without end vals:0.0483874792stdev =0.0294636273It shows that B' decreases with N", which is probably

Recall that 1 pixel is roughly 0.3 cm-1a sign of centrifugal distortion

wavelength accuracy of scanmate is 5PMIf that is the case, then the value of B'=0.422 for the lower N"=2 might be better

which is roughly 0.15 cm-1which is more consistent with Zare's and Tanaka's values

above deltas are both within the accuracy of the scanmate

(Repeated OGE scans on 110907d3 indicates a total dye laser deviation of 3pm during repeated short runs with MES)Measured

Therefore, accuracy is specified to within 5PM after correction by OGE (due to mechanical reproducibility of DL)VIBRATIONAL ORIGINS:

16849.507560661817844.7751343116is this a vibrational origin?

wavelength accuracy of 821 is 1PM17843.6718576383

which is roughly 0.03 cm-1

Tanaka delta is within accuracy of the 821

Literature values from Jost 1995:

16849.46217843.646

17842.578

Although Zare's paper has more quantum numbers,from Zare:

our results generally agree better with Tanaka's work.16849.48

Our results deviate from Zare's strongly for N'=15 (both P and R)From Tanaka::

16849.502

Tanaka's paper indicates the error is to within 1GHz (0.03 cm-1)But the accuracy of the Jost values is better than that for Tanaka and Zare: ring laser vs. pulsed; better wavemeter

Zare's paper indicates accuracy is to within 0.1 angstroms (0.3 cm-1)DELTA in cm-1

0.04556066181.1291343116

1.0938576383

DL error is around 1.5PM; within tolerance of DL and close to that of 821

Mchr error is less than 0.01 nm; within expected tolerance

(Observed mchr reproducibility and accuracy is usually +/- 20 pm)

Using the 821, usually observe that the OGE resonance is 2-4 pm higher than the literature valueThe two new X's do not show sign of centrifugal distortion

Could the new vibrational origin be RECARS?

Take the difference between w3 and w4:

995.2675736498cm-1

Is there a vibration with this frequency?

No they are at 750, 1325, and 1633 cm-1

Difference between our vibrational origin and Jost's is 0.046 cm-1.

The step size of the Dl was 0.0003 nm, which is roughly 0.01 cm-1

Therefore, disagreement corresponds to 4-5 step sizes.

Ours might be better because ours is a direct measurement

Note also the disagreement between the Zare, Tanaka, and Jost vibrational origins.

Sheet1

101610191058106211011105

102710311078108211711171

121212121063106612121212

102110251051105510951099

101810231051105610931097

102910341070107513271327

102710311063106614241424

102410281039104310871091

102210261046105010861089

102910321042107910831090

102710311038104210771081

103110351794179417941794

101410171057106118221822

102610311875187518751875

102310261085108919391939

101910231944194419441944

103310371044107210761082

103110351070107419851985

103910431048106510691074

103710401068107321832183

104310481052105810631067

104710521063106623702370

106110652480248024802480

252825281052105625282528

105110552562256225622562

104910531058266026602660

103110352669266926692669

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102610312828282828282828

104310481052105710631067

104510471062106628732873

292410401044292429242924

102210272928292829282928

103810423019301930193019

101510203023302330233023

103810421048106410691074

103610401063106830713071

101810223088308830883088

103510383099309930993099

101710213109310931093109

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103310371072107610811044

101110163235323532353235

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103110351069107432733273

102810321037104210781083

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102410281086109035263526

102535713571357135713571

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101210171022103110353668

101810221058106210911096

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101310163830383038303830

Sheet2

101610191059106211011105103710371037103710371037

102110241095109911061109123212321232123212321232

101810231051105610811085109210971097130013001300

102410281039104310871091109611001100149114911491

102210261046105010851089109615441544154415441544

102910321036104210791083109017391739173917391739

102710311038104110771081108817811781178117811781

103310371044107210761082195419541954195419541954

101210561100103210351071107319851985198519851985

102410301039104310481065106910741074216221622162

103710401068107321832183218321832183218321832183

104310481052105810631067236323632363236323632363

104710631066237023702370237023702370237023702370

105110551099256225622562256225622562256225622562

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104310481052105810631067285328532853285328532853

104710621066287328732873287328732873287328732873

103810421048106410691074304230423042304230423042

103610401063106830713071307130713071307130713071

103310371043107210761081323232323232323232323232

103110351041106910743273327332733273327332733273

102810321037104110791083108710891089339333933393

102610301038107710813445344534453445344534453445

102410281036103810861090109611001100352635263526

101010141021102510451049106110661066108410871096

101210171022103110351103110736683668366836683668

101810221058106210911096110011051105368436843684

101810221092109637273727372737273727372737273727

101510181058106210851090110011051105379737973797

Sheet3

111111

11111111111

11111114716716716716716716716716716

10161019110111051037103710371037103710371037

10211024109510991106110912321232123212321232

10181023109210971300130013001300130013001300

10241028108710911096110014911491149114911491

10221026108510891096154415441544154415441544

10291032103610421079108310901739173917391739

10271031103810411077108110881085178117811781

10331037104410721076108219541954195419541954

10321035107110731985198519851985198519851985

10391043104810651069107421622162216221622162

10371040106510681073218321832183218321832183

10431048105210581063106723632363236323632363

10471063106623702370237023702370237023702370

10511055256225622562256225622562256225622562

10491053105826602660266026602660266026602660

10431048105210581063106728532853285328532853

10471062106628732873287328732873287328732873

10381042104810641069107430423042304230423042

10361040106310683071307130713071307130713071

10331037104310721076108132323232323232323232

10311035104110691074327332733273327332733273

10281032103710411079108310871089339333933393

10261030103810771081344534453445344534453445

10241028103610381086109010961100352635263526

10211025108410871096359535953595359535953595

36683668366836683668366836683668366836683668

10191022109110951100110536843684368436843684

10181022109310963727372737273727372737273727

10151018108510901100110537973797379737973797

0000

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0

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N"

B'

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N"

B'

Here are all of them:

(points greater than 2500 for the Zare identified exposure numbers)

Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight

716970343797542841111390411144435

1038101635441019386810596191106266371101667211057480

1232102128701024292010954391109947921106246211092849

13001018860610231027010513850105637061081391610854414109220867109725105

1491102444421028509410394930104333681087200231091194931096640111007335

1544102214792102615864104687121050963410854811610894885410965665

1740102914048103215643103656611042667010791648110831945310907268

1781102712482103113170103851821041465910772415310812962210884169

19541033766510378266104436321072866210761346110829504

198510123072105629221100248510328423103592351071918310739928

216210242928103030621039378010435721104847321065552510691057710747482

218310375514104063911068552110733781

2363104338811048621310524037105839701063783310675227

2370104727151063345710662674

2562105161141055601310993694

285310439851104818993105211308105829931063579710674239

2873104774181062520410664475

3042103811681104219197104813982106453371069983510746822

30711036150471040176981063322810684229

3232103320504103720842104384931072691510761082010817260

327310313037210353185110414486106910821107412480

33931028200321032225721037776610418242107999981083995410894376

344510264156110304271210386181107714772108115129

35261024419610274519103631781038316710873929109044011096248911002467

359510105036101459981021281211025334431045434510494610106129731066340810842116110872189610964590

372710188641102296571092652810967507

37971015606110187277105840521062451710852464109027271100389611054722

NEXT, REMOVE ALL THAT ARE BELOW 7000

Exposure numberPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeightPixelHeight

10383544386810596191106266371101667211057480

123228702920109543911099479224622849

1300101886061023102701051385010563706391610854414109220867109725105

14914442102850941039493033681087200231091194931096640111007335

1544102214792102615864104687121050963410854811610894885410965665

1740102914048103215643103656611042667010791648110831945310907268

1781102712482103113170103851821041465910772415310812962210884169

1954103376651037826636321072866210761346110829504

198530722922248510328423103592351071918310739928

216229283062378010435721104847321065552510691057710747482

2183551410406391106855213781

23633881104862131052403739701063783310675227

2562611460133694

28531043985110481899310521130829931063579710674239

287310477418520410664475

3042103811681104219197104813982106453371069983510746822

3071103615047104017698322810684229

3232103320504103720842104384931072691510761082010817260

327310313037210353185110414486106910821107412480

33931028200321032225721037776610418242107999981083995410894376

344510264156110304271210386181107714772108115129

35955036599810212812110253344310454345104946102973340810842116110872189610964590

372710188641102296571092652810967507

3797606110187277105840521062451724642727389611054722

All points

Points above 4000

Problem: some of the unwanted peaks are above 6000, but eliminating all peaks below 7000 removes some important peaks from the X.

So the strategy should be to include all of the ones above 2500, but then to eliminate based upon the following:

1) position along the X

2) ability to find other 3 partners

3) anticipated spin-rotation coupling

4) expected box sizes and positions (due to the presence of two adjacent X's).

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Analysis of 072307d2f.datoriginal designation on sheet 1Conclusion:

Only exposures 700-4000when comparison with Zare conductedK=1 and 2 are not clearly and consistently seen in the CDRES spectrum

PURPOSE: LOOK FOR K=1 AND K=2 SUBBANDSbefore comparison with Tanakawhen a threshold of 2500 is used.

Below are all peaks above 2500 counts1.0002724

etalonConvertUSE TANAKAUSE ZAREN"N'F

blocktoN" FOR SUBBANDonly for

exposurecorrectionwavelengthwavenumberK=0K=1K=2K=1

716593.877911412616833.8922019103161615

862593.834216280916835.130862661718

910593.819850758216835.5381334106

1037593.781841979216836.61579898041414132

1171593.741738228316837.7530130319

1212593.729467677616838.1009972787

1232593.723482043116838.27075091141212111

1300593.703130885916838.84793886541212112

1327593.695050279316839.077127410611

1424593.666019952116839.900559951

1491593.645968076616840.4693696585101091

1544593.630106145316840.9193508278101092

17397593.573841181216842.51570440128871

17817593.561271348816842.87237794088872

17947593.557380686416842.982779955210

18227593.549000798116843.220573824977

18757593.533138866716843.6707020338

19397593.513984836416844.2142851467

19447593.512488427816844.256754055

19547593.509495610516844.34169251416651

19857593.500217877116844.6050071816652

21627593.44724501216846.10860669494431

21837593.440960095816846.28701767094432

23637593.387089385516847.8164096373221

23707593.384994413416847.8758916011221

24807593.352073423816848.8106633366

25287593.33770790116849.2185962382

25627593.327532322416849.507560661800

26607593.298202713516850.340513577001

26697593.29550917816850.41701338180Not sure about this one; w4 value looks like it is in the wrong place. Therefore, agree with Zare but not Tanaka

27707593.265281723916851.2755588297

28287593.247923383916851.7686244752

28537593.240441340816851.9811616698223

28737593.234455706316852.1511952855223

29247593.219192338416852.58479653643

29287593.217995211516852.618805421333

30197593.190760574616853.39254463644

30237593.189563447716853.4265567815

30427593.18387709516853.5881163454445

30717593.17519792516853.8347132307445

30887593.170110135716853.979273380655

30997593.166818036716854.0728136225

31097593.163825219516854.15785110715

316915593.148262569816854.6000598603

323215593.129407821216855.1358438608667

323515593.128509976116855.161358234377

325615593.122225059916855.339961011677

327315593.117137270616855.4845469846667

339315593.081223463716856.5052244107889

344515593.06566081416856.9475563518889

352615593.041418994416857.6366196603101011

357115593.027951316816858.0194569518

359515593.020768555516858.2236439506101011

366815592.998920989616858.8447431432