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

Citation
Ai. Maergoiz et al., STATISTICAL ADIABATIC CHANNEL CALCULATION OF ACCURATE LOW-TEMPERATURERATE CONSTANTS FOR THE RECOMBINATION OF OH RADICALS IN THEIR GROUND ROVIBRONIC STATE, The Journal of chemical physics, 103(6), 1995, pp. 2083-2091
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
103
Issue
6
Year of publication
1995
Pages
2083 - 2091
Database
ISI
SICI code
0021-9606(1995)103:6<2083:SACCOA>2.0.ZU;2-1
Abstract
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 a diabatic channel approach, The rate constants calculated in first orde r provide a good approximation to the true rate constant below 4 K. Th e rate constants calculated in second order provide a correction of ab out 25% to the first order rate constant at 20 K and indicate an only weak temperature dependence at T>20 K. At higher temperatures deviatio n of the potential from long-range electrostatic interaction have to b e accounted for. (C) 1995 American Institute of Physics.