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Vibrationally Mediated Bimolecular Reactions Christopher J. Annesley University of Wisconsin - Madison
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Comparing Reactivities of Different Vibrational States in CH 3 D Christopher J. Annesley University of Wisconsin - Madison
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How do vibrations affect reactions?
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CH 3 D( 1 or 4 ) + Cl S. Yoon, R. Holiday, E. Sibert III, and F. Crim J. Chem. Phys. 119, 9568 (2003)
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CH 3 D( 1 or 4 ) + Cl S. Yoon, R. Holiday, E. Sibert III, and F. Crim J. Chem. Phys. 119, 9568 (2003)
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Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl
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Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl
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Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl
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Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl
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Antisymmetric Stretch, 4 Symmetric Stretch, 1 CH 3 D( 1 or 4 ) + Cl
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Product Distributions
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Action Spectra C. Annesley, A. Berke and F. F. Crim J. Phys. Chem. A submitted
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Fitting constants Lutz, B. L.; De Bergh, C.; Maillard, J. P. Astrophysical Journal 1983, 273, 397.
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Action spectra
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CH 3 D(ν) + Cl Holiday, R. J.; Kwon, C. H.; Annesley, C. J.; Crim, F. F. J. Chem. Phys. 2006, 125, 133101.
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CH 3 D(ν) + Cl Holiday, R. J.; Kwon, C. H.; Annesley, C. J.; Crim, F. F. J. Chem. Phys. 2006, 125, 133101.
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State Mixing? A exp A calc B exp B calc ζ exp ζ calc ν1+ν2ν1+ν2 5.1745.1573.8603.790 ν2+ν4ν2+ν4 5.2235.2033.8033.7880.084.24 1 ν 2 +2ν 5 5.2515.2743.9903.843 Herzberg, G. Molecular Spectra and Molecular Structure: II. Infrared and Raman Spectra of Polyatomic Molecules; Van Nostrand Reinhold Co.: New York, 1945.
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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
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Thanks NSF
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