Vibration spectra and quantum chemical calculation of optoelectronic and force parameters of furazan and furoxan

Autor:	L. I. Anisimova, V. L. Furer, É. M. Yagund, V. I. Kovalenko
Rok vydání:	1994
Předmět:	Quantum chemical Solid-state physics business.industry Furoxan Inverse Vibration spectra Furazan Inorganic Chemistry Vibration chemistry.chemical_compound chemistry Materials Chemistry Optoelectronics Physical and Theoretical Chemistry business MINDO
Zdroj:	Journal of Structural Chemistry. 35:799-803
ISSN:	1573-8779 0022-4766
DOI:	10.1007/bf02578110
Popis:	Vibration spectra of furoxan in liquid and crystalline states are investigated. Force constants and optoelectronic parameters of furazan and furoxan are calculated by MINDO/3. Their values are compared with those obtained by solving inverse spectral problems. It is shown that the band at 1605 cm−1, which is characteristic of all furoxans, is due to vibrations of the C=N(−>0) group.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::31e756355f2831d86fb6950185230ed6 https://doi.org/10.1007/bf02578110 Zobrazit plný text záznamu Full text from SpringerLink