Title of article
Electronic structure and energy band gap studies for poly(1,3-thienyl-squaraine) and its dianion
Author/Authors
Duan، نويسنده , , Xiaofeng and Dudis، نويسنده , , Douglas S and Yeates، نويسنده , , Alan T، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2001
Pages
4
From page
285
To page
288
Abstract
Poly(1,3-thienyl-squaraine) has been studied by means of semi-empirical and ab initio quantum theories. It has been found to have a very large electron affinity (>9 eV) and thus, would be unstable in the environment. The band gap of the polymer was found to be as low as 0.3–0.6 eV. A distinct transition from a zwitterionic to a quinoidal structure was observed in the progression of increasingly longer oligomers.
Keywords
Poly(1 , 3-thienyl-squaraine) , electron affinity , Oligomers
Journal title
Synthetic Metals
Serial Year
2001
Journal title
Synthetic Metals
Record number
2073938
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