Investigation of steric effects in inelastic collisions of NO(X (2)Pi) with Ar

Citation
Mh. Alexander et S. Stolte, Investigation of steric effects in inelastic collisions of NO(X (2)Pi) with Ar, J CHEM PHYS, 112(18), 2000, pp. 8017-8026
Citations number
41
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
18
Year of publication
2000
Pages
8017 - 8026
Database
ISI
SICI code
0021-9606(20000508)112:18<8017:IOSEII>2.0.ZU;2-U
Abstract
Cross sections were determined for collisions of Ar with oriented NO(X (2)P i), based on full close-coupled calculations and new ab initio potential en ergy surfaces (PESs). Collisions in which the NO molecules are initially or iented so that the O end preferentially points toward the Ar atom are more effective in promoting spin-orbit changing transitions. The magnitude of th e steric asymmetry is consistent with earlier calculations based on a previ ous PES, and agrees well with experiment. Various modifications of the full PESs were used to explore the origin of the observed features in the steri c asymmetries, in particular the striking oscillatory pattern seen in the v ariation of the steric asymmetry with final state. (C) 2000 American Instit ute of Physics. [S0021-9606(00)01017-5].