Authors
Citation
A. Mavridis et A. Metropoulos, STRUCTURAL CHARACTERIZATION OF SCP+, Journal of physical chemistry, 97(42), 1993, pp. 10955-10957
Citations number
17
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00223654
Volume
97
Issue
42
Year of publication
1993
Pages
10955 - 10957
Database
ISI
SICI code
0022-3654(1993)97:42<10955:SCOS>2.0.ZU;2-R
Abstract
We present the ab initio potential energy curves of the lowest 2PI and
2SIGMA+ valence states of the scandium phosphide cation, ScP+. Within
the resolving power of our calculations, the two states are practical
ly degenerate, with a binding energy D(e) almost-equal-to 31.0 kcal/mo
l and equilibrium geometries r(e)(2PI) = 2.34 angstrom and r(e)(2SIGMA
+) = 2.20 angstrom