ELECTRONIC-STRUCTURE OF THIOPHENES WITH MIXED SUBSTITUENTS

Authors
NOVAK I NG SC CHUA YT MOK CY HUANG HH
Citation
I. Novak et al., ELECTRONIC-STRUCTURE OF THIOPHENES WITH MIXED SUBSTITUENTS, Journal of electron spectroscopy and related phenomena, 63(1), 1993, pp. 85-90
Citations number
9
Categorie Soggetti
Spectroscopy
Journal title
Journal of electron spectroscopy and related phenomena → ACNP
ISSN journal
03682048
Volume
63
Issue
1
Year of publication
1993
Pages
85 - 90
Database
ISI
SICI code
0368-2048(1993)63:1<85:EOTWMS>2.0.ZU;2-5
Abstract
He I photoelectron spectra of title compounds were recorded and assign ed by MNDO-PM3 calculations and comparison with spectra of related der ivatives, Substituents were found to noticeably affect the electronic structure, depending on their type and position of attachment to the r ing. MNDO-PM3 calculation results become unreliable in cases of thioph enes with widely different substituent types.