Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
85 (1986), S. 4502-4508
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A master-equation formalism is applied to the problem of overtone-induced isomerization of CH3NC to CH3CN. The results are compared to the experiments of Reddy and Berry, who measured the yield of isomerization as a function of pressure after excitation to the fourth and fifth overtones of the CH stretching mode. The master-equation model predicts the yield and the curvature in the yield−1 vs pressure plots observed in the experiments. For the lower overtone (5←0) the results are consistent with a simple strong-collider model. However, even under strong-collider conditions the yield is very sensitive to the parameters in the master equation. For the upper overtone (6←0) the data do not fit a strong collider model and multistep deactivation dominates. We are able to determine from the data the average energy transferred in a collision by assuming a particular form for the energy-transfer function. In addition, the effect of changing the shape of the energy-transfer function is investigated.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.451770
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