Electronic structure of thiophenes with mixed substituents

I. Novak, S. C. Ng, Y. T. Chua, C. Y. Mok, H. H. Huang

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

He I photoelectron spectra of title compounds were recorded and assigned by MNDO-PM3 calculations and comparison with spectra of related derivatives. Substituents were found to noticeably affect the electronic structure, depending on their type and position of attachment to the ring. MNDO-PM3 calculation results become unreliable in cases of thiophenes with widely different substituent types.

Original languageEnglish
Pages (from-to)85-90
Number of pages6
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume63
Issue number1
DOIs
Publication statusPublished - 01 Jul 1993

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