GEOMETRIES OF THIOBORINE AND CHLOROTHIOBORON CATIONS

Citation
Ft. Chau et al., GEOMETRIES OF THIOBORINE AND CHLOROTHIOBORON CATIONS, Journal of electron spectroscopy and related phenomena, 70(1), 1994, pp. 39-43
Citations number
31
Categorie Soggetti
Spectroscopy
ISSN journal
03682048
Volume
70
Issue
1
Year of publication
1994
Pages
39 - 43
Database
ISI
SICI code
0368-2048(1994)70:1<39:GOTACC>2.0.ZU;2-Y
Abstract
The ionic geometries of thioborine HBS+ and chlorothioboron CIBS+ cati ons were deduced by applying Franck-Condon analyses to the correspondi ng He(I) photoelectron bands. The BH and BS bond lengths and the rotat ional constants of HBS+ were respectively found to be 1.197 Angstrom, 1.715 Angstrom and 0.5603 cm(-1) in the X(2) pi state and 1.185 Angstr om, 1.639 Angstrom and 0.6089 cm(-1) in the A(2) Sigma(+) state. As fo r the CIBS+ ion, the BCl and BS bond distances and the rotational cons tant have values of 1.590 Angstrom, 1.716 Angstrom and 0.0923 cm(-1) r espectively. The calculated structural parameters are compared with th ose from experimental work and ab initio calculations. In addition, th e force constants of the two cations have also been determined.