CHEMICAL PHYSICS AT YALE Monday, October 22, 2001

John Tully SCL 242 john.tully@yale.edu 432-3934

CHEMICAL PHYSICS AT YALE (partial list)

Eric Altman (Chem E) Surface Physics (STM)Victor Batista (Chem) Theory (Semiclassical)Richard Chang (Appl Phys) Materials Spectroscopy Jim Cross (Chem) BuckeyballsDave DeMille (Phys) Atomic PhysicsBob Grober (Appl Phys) Optical PhysicsVictor Henrich (Appl Phys) Surface PhysicsFranco Iachello (Phys) Theory (Molecular)Mark Johnson (Chem) Cluster SpectroscopyBill Jorgensen (Chem) Simulation and ModelingMark Kasevich (Phys) Atomic PhysicsC. Schmuttenmaer (Chem) Terahertz SpectroscopyDoug Stone (Appl Phys) Theory (Optics) John Tully (Chem) Theory (Surface Phys)Pat Vaccaro (Chem) Molecular PhysicsKurt Zilm (Chem) NMR

Mark Johnson (Chem):Vibrational Spectra of Negative Ions

H2O

Cl-

h

Mark Johnson (Chem):Vibrational Spectra of Negative Ions

H2O

Cl-

Ar

Ar

h

"magnetic bottle" photoelectron spectrometer

neutraldetector (MCP)detector

(MCP)

reflectron

pulsed valve

electron gun

electrondetector (MCP)

diffusion pump

turbopump

drift tube andpotential switch

ion deflectors

Nd: YAG mid-IR Laser KTP/KTAOPO and OPA

ion beam

ionaccelerator plates

Ti:Sapphire1 mJ/ pulse at 1 kHz800 nm (400 nm on delay line)~100 fs

e-beam

mass gate

Yale Ion SpectrometerYale Ion Spectrometer

IHB band sharpens at shell closing IHB band sharpens at shell closing----Only one low lying isomer?Only one low lying isomer?

3100 3120 3140 3160 3180 3200

Pr

ediss

ocia

tion

yiel

d

Frequency (cm-1)

Cl-·H2O·Arn=1-11

11

10

9

8

7654321

n

12

13

0 cm-1 12.8 cm-1

Cl H2O Ar. .-

Two minima

0 cm-1 13.2 cm-1 83.7 cm-1

Cl H2O Ar2. .-

0 cm-1

Cl H2O Ar11. .-

Only one low-lying isomer

Cl H2O Arn (n=(0,1,2) Calculated Isomer Dependence

of OHIHB Fundamentals

-. .

n=1

n=2

3100 3120 3140 3160 3180 3200 n=0

Only AIMgets sequentialred-shift

SINGLE-MOLECULE VIBRATIONAL SPECTROSCOPYBY

SCANNING TUNNELING MICROSCOPY

EXPERIMENTS: Wilson Ho, et al., U. C. Irvine

THEORY: Tully group, Yale

e-

TIP

SURFACE

SCANNING TUNNELING MICROSCOPE

h

V

h

V

h

I

d I/d V

d2 I/d V2

-+

Xmol

mol

tip

tip

tip

molX

tip mol

moltip X

STUDENT’S ACTIVITIES:

1. New theoretical ideas2. Implementation: algorithm develop. and computer programming3. Application to real physical systems4. Extraction of fundamental insights5. Collaboration with experimentalists

John Tully: SCL-242 432-3934 john.tully@yale.edu