Theoretical study of structural and electronic properties of oligo(thiophene-phenylene)s in comparison with oligothiophenes and oligophenylenes

被引：1
|
作者：
H.Zgou [1 ]
S.M.Bouzzine [1 ]
S.Bouzakraoui [1 ]
M.Hamidi [2 ]
M.Bouachrine [3 ]
机构：
[1] Unité de Recherche sur les Macromolécules et Modélisation,Faculté des Sciences et Techniques,B.P.509 Boutalamine,5200 Errachidia,Morocco Unité de Chimie Théorique Appliquée,Faculté des Sciences et Techniques,B.P.509 Boutalamine,5200 Errachidia,Morocco
[2] Unité de Chimie Théorique Appliquée,Faculté des Sciences et Techniques,B.P.509 Boutalamine,5200 Errachidia,Morocco
[3] Unité de Recherche sur les Macromolécules et Modélisation,Faculté des Sciences et Techniques,B.P.509 Boutalamine,5200 Errachidia,Morocco
来源：
Chinese Chemical Letters | 2008年 / 01期
关键词：
Conjugated polymers; Oligothiophene; Oligophenylene; Oligo(thiophene-phenylene); DFT;
D O I：
暂无
中图分类号：
O626 [杂环化合物];
学科分类号：
摘要：
In this work,a quantum-chemical investigation on the structural and opto-electronic properties of oligo(thiophene-phenylene) (4TP)is carded out.The results are discussed in comparison with the properties of corresponding oligothiophene(8T)and oligophenylene(8P).As the opto-electronic properties of this type of conducting polymers are governed by their electronic band gap,we shall also present a comparison among HOMO,LUMO and band gap energies of these three materials.
引用
收藏
页码：123 / 126
页数：4
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