Transcript presentation ohio state-final619.ppt

Vibrational Energy Disposal
and the Spectator Model for
the Reaction of CH3D with Cl
Robert J. Holiday, Chan Ho Kwon,
Christopher J. Annesley
and F. Fleming Crim
University of Wisconsin-Madison
How do vibrations affect reactions?
Local vs Normal modes
CH 2 D(ν)  HCl
CH3D( )  Cl 
CH3  DCl
CH 2 D(ν)  HCl
CH3D( )  Cl 
CH3  DCl
Spectator Model
Product Distributions
CH 2 D(ν)  HCl
CH3D( )  Cl 
CH3  DCl
Product Distributions
CH 2 D(ν)  HCl
CH3D( )  Cl 
CH3  DCl
Product Distributions
CH 2 D(ν)  HCl
CH3D( )  Cl 
CH3  DCl
Conclusions



Vibrational excitation of C-H overtone
stretches enhance the H abstraction rate
The |110>|0> mode reacts to produce C-H
stretch excited CH2D products, while
|200>|0> yields ground state products
This provides support for the spectator model
Thanks
F. Fleming Crim
Funding: NSF