STATISTICAL ADIABATIC CHANNEL CALCULATION OF ACCURATE LOW-TEMPERATURE RATE CONSTANTS FOR THE RECOMBINATION OF OH RADICALS IN THEIR GROUND ROVIBRONIC STATE

被引:20
作者
MAERGOIZ, AI [1 ]
NIKITIN, EE [1 ]
TROE, J [1 ]
机构
[1] UNIV GOTTINGEN,INST PHYS CHEM,D-37077 GOTTINGEN,GERMANY
关键词
D O I
10.1063/1.469683
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Accurate low-energy capture cross sections and low-temperature capture rate constants for two OH radicals in their ground rovibronic states X (2) Pi(3/2)(v = 0, j = 3/2) were calculated within the statistical adiabatic channel approach, The rate constants calculated in first order provide a good approximation to the true rate constant below 4 K. The rate constants calculated in second order provide a correction of about 25% to the first order rate constant at 20 K and indicate an only weak temperature dependence at T>20 K. At higher temperatures deviation of the potential from long-range electrostatic interaction have to be accounted for. (C) 1995 American Institute of Physics.
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页码:2083 / 2091
页数:9
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