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HBr Energetics agust,www,....hbr/PPT-180112ak.ppt agust, heima,...HBr/XLS-180112ak.xls

HBr Energetics agust,www,....hbr/PPT- agust, heima,...HBr/XLS-180112ak.xls

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agust, heima,...HBr/XLS ak.xls HBr D: 363kJ mol-1http://www.sartep.com/chem/chartsandtools/bondenergy.cfm cm-1 362kJ mol-1http://www.wiredchemist.com/chemistry/data/bond-energies-lengths kcal mol-1http://jcp.aip.org/resource/1/jcpsa6/v56/i6/p2713_s1?isAuthorized=no eVH&H book cm-1 ca.30300cm-1 f1:8.36E+01cm-1 / (kJ mol-1) f2:3.50E+02cm-1 / (kcal mol-1) f3: cm-1/eV E(4P; 5s) = cm IE=11.68eV Energetics IE= cm-1 IE(Br)= cm-1 E(S/O;Br)= cm-1 E(H+Br*(1/2)) = E(H+Br+ + e)= IE(H) = E(H+ + e + Br) EA(Br) = eVhttp://en.wikipedia.org/wiki/Electron_affinity_%28data_page% cm-1 E(H+ + Br-)=

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Page 1: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

HBr

Energetics

agust,www,....hbr/PPT-180112ak.pptagust, heima,...HBr/XLS-180112ak.xls

Page 2: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

http://www.sartep.com/chem/chartsandtools/bondenergy.cfm :

Bond Dissociation Energies

Bond Bond Energy (kj/mol)

H—H 432

H—F 565

H—Cl 427

H—Br 363

http://www.wiredchemist.com/chemistry/data/bond-energies-lengths BondD (kJ/mol)r (pm) H-Br 362 141

he bond dissociation energy of HBr (88 kcal∕mole)

http://jcp.aip.org/resource/1/jcpsa6/v56/i6/p2713_s1?isAuthorized=no

H & H: D00 = 3.758 eV = 30310.3028 cm-1

Page 3: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

agust, heima,...HBr/XLS-180112ak.xls

HBr D:

363kJ mol-1 http://www.sartep.com/chem/chartsandtools/bondenergy.cfm 30344.4264cm-1

362kJ mol-1 http://www.wiredchemist.com/chemistry/data/bond-energies-lengths 30260.833 88kcal mol-1 http://jcp.aip.org/resource/1/jcpsa6/v56/i6/p2713_s1?isAuthorized=no 30778.4436

3.758eV H&H book 30310.3028cm-1 ca. 30300cm-1f1: 8.36E+01cm-1 / (kJ mol-1)

f2: 3.50E+02cm-1 / (kcal mol-1) f3: 8065.54093cm-1/eV E(4P; 5s) = 63436.45cm-1 93736.45

IE= 11.68eVhttp://webbook.nist.gov/cgi/cbook.cgi?ID=C10035106&Units=SI&Mask=20#Ion-Energetics

IE= 94205.51806cm-1 IE(Br)= 95284.8cm-1 E(S/O;Br)= 3685.24cm-1 E(H+Br*(1/2))= 33985.24 E(H+Br+ + e)= 125584.8 IE(H) = 109678.7717 E(H+ + e + Br) 139978.7717

EA(Br) = 3.36359eV http://en.wikipedia.org/wiki/Electron_affinity_%28data_page%29 27129.1728cm-1E(H+ + Br-)= 112849.5989

Page 4: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

30 k

60 k

90 k

H + Br30300 cm-1

93736.45H + Br**(4P;5s)

Lowest energy Br**

HBr+ + e; 94205.51806 cm-1

H + Br*(1/2)33985.24 cm-1

H + Br +125584.8

139978.77 H + + Br

74000

86000

41861.643000

37000

83723.2

Total scanrange for HBr H + + Br-112849.6cm-1

130 k

(1)

(2)

(3)

(n) = number of photons

Page 5: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

NIST:

HBr

BrNIST: IE(Br) = 95 284.8cm-1

NIST:

Page 6: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

Comments:

The threshold 83723.2 cm-1 a mentioned in slide 4 could be the major reason for The large I(Br+)/I(HBr+) ratio observed for:

1)E(v´=3), 0 = 84249.6 cm-1

see: https://notendur.hi.is/jil3/work/HBr/E%20states%20for%20HBr.pdf 2)H(v´=2), 0 = 84042.1 cm-1

see: https://notendur.hi.is/jil3/work/HBr/H%20states%20for%20HBr.pdf

What are the IR for V(m+14) and higher V levels like???? Are these perhaps showing negligible HBr+ signals?!

I can not find REMPI spectra for this region. Where do I find processed REMPIspectra for 0 > 83000 cm-1?

a: that energy corresponds to a threshold, - below which four photons are needed to form Br+ (i.e. (2r + 2i) REMPI) and - above which three photons are needed to form Br+ (i.e. (2r + 1i) REMPI

Page 7: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

30 k

60 k

90 k

H + Br30300 cm-1

93736.45H + Br**(4P;5s)

Lowest energy Br**

HBr+ + e; 94205.51806 cm-1

H + Br*(1/2)33985.24 cm-1

H + Br +125584.8

139978.77 H + + Br

74000

86000

41861.643000

37000

83723.2

Total scanrange for HBr H + + Br-112849.6cm-1

130 k

(1)

(2)

(3)

(n) = number of photons

3 photons are needed toionize Br and Br* in theexcitation region

9528

4.8

9159

9.56

Page 8: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls
Page 9: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls
Page 10: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

400

300

200

100

0

x10-1

8

20015010050

Page 11: HBr Energetics agust,www,....hbr/PPT-  agust, heima,...HBr/XLS-180112ak.xls

160000

140000

120000

100000

80000

60000

40000

20000

0

Ene

rgy

/cm

-1

543210Internuclear Distance / Å

HBr X1

H+Br- V1

HBr**

H1

F1

HBr+ X2

HBr+* A2

t3

a3 a3

HBr* A1

Fig. 1 forHBr-FvsV-paper: