Semi-empirical evaluation of substituted terthiophenes as polythiophene precursors

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Abstract

PM3 Semi-empirical molecular orbital calculations have been performed on terthiophene derivatives which are also heteropentalene mesomeric betaines. The ionization potentials and band-gaps have been determined in order to identify systems which might provide suitable monomers for conducting polythiophene derivatives.
Original languageEnglish
Pages (from-to)137-140
JournalJournal of Heterocyclic Chemistry
Volume36
Issue number1
DOIs
Publication statusPublished - Jan 1999

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