STRUCTURE AND CONVERSIONS OF ETHYLENE-GLYCOL RADICALS

Citation
Vs. Kosobutskii et al., STRUCTURE AND CONVERSIONS OF ETHYLENE-GLYCOL RADICALS, High energy chemistry, 27(2), 1993, pp. 89-94
Citations number
13
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00181439
Volume
27
Issue
2
Year of publication
1993
Pages
89 - 94
Database
ISI
SICI code
0018-1439(1993)27:2<89:SACOER>2.0.ZU;2-1
Abstract
Data on the geometry and distribution of electron density are presente d for various conformations of molecules and radicals and the radical anion of ethylene glycol, obtained as a result of quantum chemical cal culation according to the MADO method. An estimate is given for the co ntent of various conformations of the molecules and radicals of ethyle ne glycol on the basis of the heats of their formation. A mechanism of the destruction of ethylene glycol radical anions and radicals, in ag reement with the experimental data on the radiolysis of ethylene glyco l, is proposed.