Reaction dynamics of O(D-1)+HD. I. The insertion pathway

Citation
Yt. Hsu et al., Reaction dynamics of O(D-1)+HD. I. The insertion pathway, J CHEM PHYS, 111(17), 1999, pp. 7921-7930
Citations number
46
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
17
Year of publication
1999
Pages
7921 - 7930
Database
ISI
SICI code
0021-9606(19991101)111:17<7921:RDOOIT>2.0.ZU;2-#
Abstract
The doubly differential cross sections (angle and speed) for the reactions O(D-1)+HD --> OH(OD)+D(H) at E-c=2.05 kcal/mol were directly mapped out usi ng the Doppler-selected time-of-flight technique in a crossed-beam experime nt. Except for the previously noted discrepancy in the H/D isotope branchin g ratio, good agreement with QCT (quasiclassical trajectory) results on a h igh quality ab initio surface are found for all dynamical features, includi ng the product angular and translational energy distributions and the very detailed angle-specific translational energy release. (C) 1999 American Ins titute of Physics. [S0021-9606(99)00541-3].