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 language | English |
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Pages (from-to) | 137-140 |
Journal | Journal of Heterocyclic Chemistry |
Volume | 36 |
Issue number | 1 |
DOIs | |
Publication status | Published - Jan 1999 |