DISSOCIATIVE RECOMBINATION OF ELECTRONS AND MOLECULAR-IONS

Citation
Gv. Golubkov et al., DISSOCIATIVE RECOMBINATION OF ELECTRONS AND MOLECULAR-IONS, Russian chemical bulletin, 45(6), 1996, pp. 1265-1278
Citations number
74
Categorie Soggetti
Chemistry
Journal title
ISSN journal
10665285
Volume
45
Issue
6
Year of publication
1996
Pages
1265 - 1278
Database
ISI
SICI code
1066-5285(1996)45:6<1265:DROEAM>2.0.ZU;2-Q
Abstract
Tile existing techniques for the calculation of the dissociative recom bination (DR) of electrons and molecular ions were compared. The advan tages of the method of multichannel quantum defect (MQD), in which equ ations are formulated directly for the T-matrix of collisions and the unitarity of the scattering S-matrix is thus ensured, were demonstrate d. The effect of molecular rotation and of the nonadiabatic electron-r otation coupling on the e(-) + H-2(+) --> H + H reaction was investig ated. A procedure was suggested based on the use of the adiabatic appr oximation (with respect to the nuclear rotation) in the near-threshold area while taking into account the contributions of the excited vibro nic states of the Rydberg complex formed in an intermediate stage of t he reaction. It is notable that tile partial rate constants (and the c orresponding cross-sections) are very sensitive to the initial rotatio n excitation. However, the temperature-averaged rate constants under e quilibrium conditions are only slightly affected by rotation.