THE SCPH+ CATION

Citation
A. Metropoulos et al., THE SCPH+ CATION, Journal of physical chemistry, 98(47), 1994, pp. 12232-12235
Citations number
20
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
98
Issue
47
Year of publication
1994
Pages
12232 - 12235
Database
ISI
SICI code
0022-3654(1994)98:47<12232:TSC>2.0.ZU;2-Z
Abstract
We have obtained by ab initio calculations the energetics and the geom etries of the X(1) Sigma(+), a(3) Pi, and A(1) Pi valence states of th e ScPH+ cation, which we have found to be nonrigid in its ground state . We have also examined its bond energies and lengths vis-a-vis the sa me quantities of the free ScP+ and PH species and have generated poten tial curves for its Sc+ + PH and ScP+ + H asymptotic channels.