THE ELECTRONIC EXCITED-STATES OF BN

Citation
Cw. Bauschlicher et H. Partridge, THE ELECTRONIC EXCITED-STATES OF BN, Chemical physics letters, 257(5-6), 1996, pp. 601-608
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
257
Issue
5-6
Year of publication
1996
Pages
601 - 608
Database
ISI
SICI code
0009-2614(1996)257:5-6<601:TEEOB>2.0.ZU;2-6
Abstract
The a(1) Sigma(+)-X(3)II separation is estimated to be 180 +/- 110 cm( -1), which is in reasonable agreement with the recent experimental det ermination that the separation in a neon matrix is between 15 and 182 cm(-1). The calculated spectroscopic constants for the excited states confirm the experimental assignment for the triplet states below 30000 cm(-1) and two lowest singlet states. On the basis of a comparison of the computed results with those obtained from experiment, the compute d spectroscopic constants for the higher electronic states should be s ufficiently accurate to help in the assignment of future experiments.