Citation
R. Schork et H. Koppel, Unexpected stability of vinylidene from 5D ab initio quantum-dynamical calculations, CHEM P LETT, 326(3-4), 2000, pp. 277-282
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614
→ ACNP
Volume
326
Issue
3-4
Year of publication
2000
Pages
277 - 282
Database
ISI
SICI code
0009-2614(20000818)326:3-4<277:USOVF5>2.0.ZU;2-N
Abstract
We report results of 5D quantum-dynamical simulations for the vibrational l
evels and lifetime of vinylidene. The calculations are based on a new ab in
itio potential energy surface and reproduce the observed vibrational struct
ure of the photodetachment spectrum very well. The lifetimes thus obtained
exceed previous estimates in the literature by 2-3 orders of magnitude. (C)
2000 Elsevier Science B.V. All rights reserved.