VIBRATION-SPECTRA AND QUANTUM-CHEMICAL CALCULATION OF OPTOELECTRONIC AND FORCE PARAMETERS OF FURAZAN AND FUROXAN

Authors
KOVALENKO VI FURER VL ANISIMOVA LI YAGUND EM
Citation
Vi. Kovalenko et al., VIBRATION-SPECTRA AND QUANTUM-CHEMICAL CALCULATION OF OPTOELECTRONIC AND FORCE PARAMETERS OF FURAZAN AND FUROXAN, Journal of structural chemistry, 35(6), 1994, pp. 799-803
Citations number
13
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
35
Issue
6
Year of publication
1994
Pages
799 - 803
Database
ISI
SICI code
0022-4766(1994)35:6<799:VAQCOO>2.0.ZU;2-G
Abstract
Vibration spectra of furoxan in liquid and crystalline states are inve stigated Force constants and optoelectronic parameters of furazan and furoxan are calculated by MINDO/3. Their values are compared with thos e obtained by solving inverse spectral problems. It is shown that the band at 1605 cm(-1), which is characteristic of all furoxans, is due t o vibrations of the C = N(-)O) group.