Insertion and abstraction pathways in the reaction O(D-1(2))+H-2 -> OH+H

Citation
Fj. Aoiz et al., Insertion and abstraction pathways in the reaction O(D-1(2))+H-2 -> OH+H, PHYS REV L, 86(9), 2001, pp. 1729-1732
Citations number
24
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW LETTERS
ISSN journal
00319007 → ACNP
Volume
86
Issue
9
Year of publication
2001
Pages
1729 - 1732
Database
ISI
SICI code
0031-9007(20010226)86:9<1729:IAAPIT>2.0.ZU;2-J
Abstract
Rigorous quantum dynamical calculations have been performed on the ground 1 (1)A' and first ex cited 1(1)A " electronic states of the title reaction, e mploying the most accurate potential energy surfaces available. Product rov ibrational quantum start populations and rotational angular momentum alignm ent parameters are reported, and are compared with new experimental, and qu asiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment. and reveal unequivocally that the 1(1)A " e xcited state participates in the reaction.