TY - JOUR
T1 - Application of the statistical phase space theory to reactions of atomic hydrogen with deuterium halides
AU - Truhlar, Donald G.
AU - Kuppermann, Aron
PY - 1969
Y1 - 1969
N2 - A statistical phase space theory of chemical kinetics, developed by Light, Pechukas, and Nikitin, is used to predict the reaction cross sections and rates of the processes H + AB → HA + B and HB + A, where AB = DCl, DBr, DI, and HI. The theory contains no adjustable parameters and agreement with experiment for the abstraction fraction [HA]/([HA] + [HB]) is fair. The predicted rates are too large, indicating that the statistical assumption is not completely valid. The predicted dependence of the reaction probabilities on initial orbital angular momentum and the predicted internal energy distributions of the products are also presented and discussed. For AB = DI, the prediction for the fraction of I atoms produced in the 2P1/2 electronically excited state is in disagreement with recent experiments.
AB - A statistical phase space theory of chemical kinetics, developed by Light, Pechukas, and Nikitin, is used to predict the reaction cross sections and rates of the processes H + AB → HA + B and HB + A, where AB = DCl, DBr, DI, and HI. The theory contains no adjustable parameters and agreement with experiment for the abstraction fraction [HA]/([HA] + [HB]) is fair. The predicted rates are too large, indicating that the statistical assumption is not completely valid. The predicted dependence of the reaction probabilities on initial orbital angular momentum and the predicted internal energy distributions of the products are also presented and discussed. For AB = DI, the prediction for the fraction of I atoms produced in the 2P1/2 electronically excited state is in disagreement with recent experiments.
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U2 - 10.1021/j100726a016
DO - 10.1021/j100726a016
M3 - Article
AN - SCOPUS:33947298521
SN - 0022-3654
VL - 73
SP - 1722
EP - 1734
JO - Journal of physical chemistry
JF - Journal of physical chemistry
IS - 6
ER -