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