VIBRATIONAL AND AM1 STUDY OF THE MOLECULAR-STRUCTURE OF HEXAKIS(BENZONITRILE) COMPLEX-IONS [M(BN)(6)](2+)

Authors
HASE Y ALVES OL
Citation
Y. Hase et Ol. Alves, VIBRATIONAL AND AM1 STUDY OF THE MOLECULAR-STRUCTURE OF HEXAKIS(BENZONITRILE) COMPLEX-IONS [M(BN)(6)](2+), Vibrational spectroscopy, 6(2), 1994, pp. 225-228
Citations number
6
Categorie Soggetti
Spectroscopy,"Chemistry Analytical","Chemistry Physical
Journal title
Vibrational spectroscopy → ACNP
ISSN journal
09242031
Volume
6
Issue
2
Year of publication
1994
Pages
225 - 228
Database
ISI
SICI code
0924-2031(1994)6:2<225:VAASOT>2.0.ZU;2-6
Abstract
The Raman and IR spectra of [M(BN)(6)](2+), where M = Mn, Co, Ni and Z n, and BN = benzonitrile, have been obtained in the C=N stretching reg ion. The band splittings of the C=N fundamentals were observed for the first time and interpreted as the T-h --> S-6 --> D-3d symmetry chang e of the molecular structure in accordance with AM1 molecular orbital calculations.