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