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Vibration--vibration energy exchange in iodine molecules

Journal Article · · J. Chem. Phys.; (United States)
DOI:https://doi.org/10.1063/1.444908· OSTI ID:6791475
Vibration--vibration energy exchange probabilities between iodine molecules (X /sup 1/..sigma../sup +//sub g/) have been calculated by use of the solution of the time-dependent Schroedinger equation. The interaction potential is constructed by summing four orientation averaged atom--atom interactions. One-quantum probabilities P/sup v/,0/sub v/-1,1(T) for v-1,1..-->..v,0 are found to be very large in a temperature range of 100--3000 K. At lower temperatures, the approximate linear relation p/sup v/,0/sub v/-1,1(T)approx. =vP/sup 1,0//sub 0,1/(T) holds. When v is small, the probability increases linearly with temperature. Multiquantum transitions v,0..-->..v-n,n with n>1 are found to be negligible near room temperature, but they become quite efficient at higher temperatures. Energy exchange probabilities are formulated in infinite order and their reduction to first-order expressions are discussed in detail. The effects of molecular attraction are also discussed.
Research Organization:
Department of Chemistry, Korea Advanced Institute of Science and Technology, Seoul, Korea
OSTI ID:
6791475
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 78:3; ISSN JCPSA
Country of Publication:
United States
Language:
English