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Semi‐empirical evaluation of substituted terthiophenes as polythiophene precursors
Author(s) -
Stanforth Stephen P.
Publication year - 1999
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570360120
Subject(s) - chemistry , terthiophene , monomer , computational chemistry , molecular orbital , ionization , ionization energy , polythiophene , organic chemistry , molecule , conductive polymer , polymer , ion
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 polythio phene derivatives.