O+OH-->O(2)+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment.
Identifieur interne : 000919 ( France/Analysis ); précédent : 000918; suivant : 000920O+OH-->O(2)+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment.
Auteurs : F. Lique [France] ; M. Jorfi ; P. Honvault ; P. Halvick ; S Y Lin ; H. Guo ; D Q Xie ; P J Dagdigian ; J. Kłos ; M H AlexanderSource :
- The Journal of chemical physics [ 1089-7690 ] ; 2009.
Abstract
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.
DOI: 10.1063/1.3274226
PubMed: 20001016
Affiliations:
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Jorfi</name></author><author><name sortKey="Honvault, P" sort="Honvault, P" uniqKey="Honvault P" first="P" last="Honvault">P. Honvault</name></author><author><name sortKey="Halvick, P" sort="Halvick, P" uniqKey="Halvick P" first="P" last="Halvick">P. Halvick</name></author><author><name sortKey="Lin, S Y" sort="Lin, S Y" uniqKey="Lin S" first="S Y" last="Lin">S Y Lin</name></author><author><name sortKey="Guo, H" sort="Guo, H" uniqKey="Guo H" first="H" last="Guo">H. Guo</name></author><author><name sortKey="Xie, D Q" sort="Xie, D Q" uniqKey="Xie D" first="D Q" last="Xie">D Q Xie</name></author><author><name sortKey="Dagdigian, P J" sort="Dagdigian, P J" uniqKey="Dagdigian P" first="P J" last="Dagdigian">P J Dagdigian</name></author><author><name sortKey="Klos, J" sort="Klos, J" uniqKey="Klos J" first="J" last="Kłos">J. Kłos</name></author><author><name sortKey="Alexander, M H" sort="Alexander, M H" uniqKey="Alexander M" first="M H" last="Alexander">M H Alexander</name></author></analytic><series><title level="j">The Journal of chemical physics</title><idno type="eISSN">1089-7690</idno><imprint><date when="2009" type="published">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">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. 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Halvick</name><name sortKey="Honvault, P" sort="Honvault, P" uniqKey="Honvault P" first="P" last="Honvault">P. Honvault</name><name sortKey="Jorfi, M" sort="Jorfi, M" uniqKey="Jorfi M" first="M" last="Jorfi">M. Jorfi</name><name sortKey="Klos, J" sort="Klos, J" uniqKey="Klos J" first="J" last="Kłos">J. Kłos</name><name sortKey="Lin, S Y" sort="Lin, S Y" uniqKey="Lin S" first="S Y" last="Lin">S Y Lin</name><name sortKey="Xie, D Q" sort="Xie, D Q" uniqKey="Xie D" first="D Q" last="Xie">D Q Xie</name></noCountry><country name="France"><region name="Région Normandie"><name sortKey="Lique, F" sort="Lique, F" uniqKey="Lique F" first="F" last="Lique">F. Lique</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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