ELECTRONIC-STRUCTURE OF BICHALCOPHENES

Citation
I. Novak et al., ELECTRONIC-STRUCTURE OF BICHALCOPHENES, Journal of physical chemistry, 98(20), 1994, pp. 5240-5243
Citations number
20
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
98
Issue
20
Year of publication
1994
Pages
5240 - 5243
Database
ISI
SICI code
0022-3654(1994)98:20<5240:EOB>2.0.ZU;2-6
Abstract
He I and He II photoelectron spectra of some isomeric bichalcophenes c ontaining selenium were recorded. The electronic structure was analyze d and spectra assigned on the basis of empirical considerations: band contours, He I/He II intensity variations, and correlations with spect ra of related molecules. Semiempirical MO calculations were used to es timate interring torsional barriers. The spectra indicate various inte ractions taking place among thiophene, furan, and selenophene pi orbit als. The relationship between electronic structure and formation of no vel polymer materials is discussed.