Electronic structure of bichalcophenes

Igor Novak, Siu Choon Ng, Yek Tann Chua, Chup Yew Mok, Hsing Hua Huang

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)


He I and He II photoelectron spectra of some isomeric bichalcophenes containing selenium were recorded. The electronic structure was analyzed and spectra assigned on the basis of empirical considerations: band contours, He I/He II intensity variations, and correlations with spectra of related molecules. Semiempirical MO calculations were used to estimate interring torsional barriers. The spectra indicate various interactions taking place among thiophene, furan, and selenophene π orbitals. The relationship between electronic structure and formation of novel polymer materials is discussed.

Original languageEnglish
Pages (from-to)5240-5243
Number of pages4
JournalJournal of Physical Chemistry
Issue number20
Publication statusPublished - 1994


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