Vibrationally Mediated Bimolecular Reactions Christopher J. Annesley University of Wisconsin - Madison.

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Presentation transcript:

Vibrationally Mediated Bimolecular Reactions Christopher J. Annesley University of Wisconsin - Madison

Comparing Reactivities of Different Vibrational States in CH 3 D Christopher J. Annesley University of Wisconsin - Madison

How do vibrations affect reactions?

CH 3 D( 1 or 4 ) + Cl S. Yoon, R. Holiday, E. Sibert III, and F. Crim J. Chem. Phys. 119, 9568 (2003)

CH 3 D( 1 or 4 ) + Cl S. Yoon, R. Holiday, E. Sibert III, and F. Crim J. Chem. Phys. 119, 9568 (2003)

Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl

Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl

Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl

Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl

Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl

Product Distributions

Action Spectra C. Annesley, A. Berke and F. F. Crim J. Phys. Chem. A submitted

Fitting constants Lutz, B. L.; De Bergh, C.; Maillard, J. P. Astrophysical Journal 1983, 273, 397.

Action spectra

CH 3 D(ν) + Cl Holiday, R. J.; Kwon, C. H.; Annesley, C. J.; Crim, F. F. J. Chem. Phys. 2006, 125,

CH 3 D(ν) + Cl Holiday, R. J.; Kwon, C. H.; Annesley, C. J.; Crim, F. F. J. Chem. Phys. 2006, 125,

State Mixing? A exp A calc B exp B calc ζ exp ζ calc ν1+ν2ν1+ν ν2+ν4ν2+ν ν 2 +2ν Herzberg, G. Molecular Spectra and Molecular Structure: II. Infrared and Raman Spectra of Polyatomic Molecules; Van Nostrand Reinhold Co.: New York, 1945.

Summary Different vibrations react differently –Products Spectator model –Reactivities Highly mixed states obscure these differences Need new systems to find more examples CH 3 F, CH 2 F 2

Thanks NSF