O+OH-->O(2)+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment.
We report extensive, fully quantum, time-independent (TID) calculations of cross sections at low collision energies and rate constants at low temperatures for the O+OH reaction, of key importance in the production of molecular oxygen in cold, dark, interstellar clouds and in the chemistry of the Earth's atmosphere. Our calculations are compared with TID calculations within the J-shifting approximation, with wave-packet calculations, and with quasiclassical trajectory calculations. The fully quantum TID calculations yield rate constants higher than those from the more approximate methods and are qualitatively consistent with a low-temperature extrapolation of earlier experimental values but not with the most recent experiments at the lowest temperatures.
Lique
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F
LOMC, Universite du Havre, 25 Rue Philippe Lebon, BP 540, 76 058 Le Havre Cedex, France.
Jorfi
M
M
Honvault
P
P
Halvick
P
P
Lin
S Y
SY
Guo
H
H
Xie
D Q
DQ
Dagdigian
P J
PJ
Kłos
J
J
Alexander
M H
MH