Structure électronique de dérivés sulfurés

Autor: Geneviève Pfister-Guillouzo, M. Arbelot, Claude Guimon, Danièle Gonbeau
Rok vydání: 1974
Předmět:
Zdroj: Journal of Molecular Structure. 20:487-494
ISSN: 0022-2860
DOI: 10.1016/0022-2860(74)85126-4
Popis: The experimental and theoretical spectra of thiocarbonyl heterocyclic compounds with two heteroatoms in the α position to the thiocarbonyl group have been studied. The theoretical interpretation of the CNDO/S results including an extension to the third period, i.e. 3 d orbitais, is in good agreement with the saturation effect as well as with the influence of the intracyclic heteroatoms on the typical absorptions of the thiocarbonyl group.
Databáze: OpenAIRE