MATRIX-ISOLATION RAMAN-SPECTROSCOPY, SEMIEMPIRICAL CALCULATIONS AND NORMAL-COORDINATE ANALYSIS OF STRAINED SYSTEMS - II - BICYCLO[2.1.0]PENTANE

Authors
GERNET D ADAM W KIEFER W
Citation
D. Gernet et al., MATRIX-ISOLATION RAMAN-SPECTROSCOPY, SEMIEMPIRICAL CALCULATIONS AND NORMAL-COORDINATE ANALYSIS OF STRAINED SYSTEMS - II - BICYCLO[2.1.0]PENTANE, Vibrational spectroscopy, 17(1), 1998, pp. 31-39
Citations number
5
Categorie Soggetti
Spectroscopy,"Chemistry Analytical","Chemistry Physical
Journal title
Vibrational spectroscopy → ACNP
ISSN journal
09242031
Volume
17
Issue
1
Year of publication
1998
Pages
31 - 39
Database
ISI
SICI code
0924-2031(1998)17:1<31:MRSCAN>2.0.ZU;2-4
Abstract
The Raman wavenumbers of bicyclo[2.1.0]pentane (BCP), isolated in a lo w-temperature matrix, are presented and assignments for all vibrationa l fundamentals are proposed. The molecular structure of BCP is calcula ted by means of semi-empirical quantum-mechanics and a normal coordina te analysis of the strained bicyclic system is performed in internal c oordinates in terms of a valence force field. (C) 1998 Elsevier Scienc e B.V. All rights reserved.