THE EFFECT OF ROTATIONAL-EXCITATION ON THE REACTION A(-)(G))-](OO)-O-18-O-16((3)SIGMA(-)(G))+O-16(P-3) - A COMPARISON OF QUASI-CLASSICAL AND HEMIQUANTAL HYPERSPHERICAL DYNAMICS((OO))

Authors
Citation
M. Chajia et M. Jacon, THE EFFECT OF ROTATIONAL-EXCITATION ON THE REACTION A(-)(G))-](OO)-O-18-O-16((3)SIGMA(-)(G))+O-16(P-3) - A COMPARISON OF QUASI-CLASSICAL AND HEMIQUANTAL HYPERSPHERICAL DYNAMICS((OO)), Chemical physics, 195(1-3), 1995, pp. 195-206
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
03010104
Volume
195
Issue
1-3
Year of publication
1995
Pages
195 - 206
Database
ISI
SICI code
0301-0104(1995)195:1-3<195:TEOROT>2.0.ZU;2-K
Abstract
We present the results of quasiclassical trajectories (QCT) and hemiqu antal hyperspherical (HQS) dynamics calculations for the exchange reac tion O-18(P-3)+(OO)-O-16-O-16((3) Sigma(g)(-))-->(OO)-O-18-O-16((3) Si gma(g)(-))+O-16(P-3) and its reverse. The effect of rotational excitat ion on reactivity has been investigated by calculating reaction cross sections for specific initial states for a collision energy in the ran ge 0.01-0.45 eV. Detailed and thermal rate constants in the temperatur e range 150-700 K are presented. The influence of rotational excitatio n on reactivity is found to be similar by both QCT and HQS methods and a possible explanation of the results is proposed. The numerical valu es are compared with experimental ones and with those of other traject ories calculations.