ELECTRONIC-STRUCTURE OF MONOSUBSTITUTED BENZENES AND X-RAY-EMISSION SPECTROSCOPY .2. BENZONITRILE

ELECTRONIC-STRUCTURE OF MONOSUBSTITUTED BENZENES AND X-RAY-EMISSION SPECTROSCOPY .2. BENZONITRILE Full article

Journal

Russian Chemical Bulletin
ISSN: 1066-5285 , E-ISSN: 1573-9171

Output data

Year: 1994, Volume: 43, Number: 7, Pages: 1186-1190 Pages count : 5 DOI: 10.1007/BF00698241

Tags

X-RAY EMISSION; N-K-ALPHA-SPECTRA; C-K-ALPHA-SPECTRA; MNDO; BENZONITRILE

Authors

Yumatov V.D. ¹ , Salakhutdinov N.F. ²

Affiliations

1	Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 3 prosp. Akad. Lavrent'eva, 630090, Novosibirsk, Russian Federation
2	Novosibirsk Institute of Organic Chemistry, Siberian Branch of the Russian Academy of Sciences, 9 prosp. Akad. Lavrent'eva, 630090, Novosibirsk, Russian Federation

The electronic structure of benzonitrile has been studied by X-ray spectroscopy. N-K alpha and C-K alpha spectra were recorded. The corresponding theoretical spectra were constructed on the basis of MNDO calculations. The molecular orbitals (MO) of benzonitrile have been compared with those of benzene and hydrogen cyanide. The p(pi)-p(pi)-interaction between the phenyl fragment and the cyano group has been studied. The contribution of the latter to the highest occupied orbitals of the molecule was shown to be small.

Yumatov V.D. , Salakhutdinov N.F.
ELECTRONIC-STRUCTURE OF MONOSUBSTITUTED BENZENES AND X-RAY-EMISSION SPECTROSCOPY .2. BENZONITRILE
Russian Chemical Bulletin. 1994. V.43. N7. P.1186-1190. DOI: 10.1007/BF00698241 WOS Scopus РИНЦ OpenAlex

Published print:

Jul 1, 1994

Web of science:	WOS:A1994QK21800016
Scopus:	2-s2.0-21844519512
Elibrary:	31101203
OpenAlex:	W3003006487

DB	Citing
Web of science	5
Scopus	6
Elibrary	5
OpenAlex	4