QUARTIC FORCE-FIELDS OF RENNER-TELLER SYS TEMS (X2-PI) WITH 15 VALENCE-ELECTRONS

Authors
GRITLI H CHAMBAUD G BROMMER M ROSMUS P
Citation
H. Gritli et al., QUARTIC FORCE-FIELDS OF RENNER-TELLER SYS TEMS (X2-PI) WITH 15 VALENCE-ELECTRONS, Journal de chimie physique et de physico-chimie biologique, 91(2), 1994, pp. 151-161
Citations number
25
Categorie Soggetti
Biology,"Chemistry Physical
Journal title
Journal de chimie physique et de physico-chimie biologique → ACNP
Volume
91
Issue
2
Year of publication
1994
Pages
151 - 161
Database
ISI
SICI code
Abstract
For the 15 valence electron molecules BO2, CO2, CS2+, N3, NCO, and N2O + the quartic force fields for both Renner-Teller components of the (X 2PI) ground states are given. These potential expansions yield vibroni c energies which agree to within 20 cm-1 with available experimental d ata. A set of effective molecular parameters has been derived and a co mparison of the force fields for the different systems has been made.