EFFECTS OF TOPOLOGY ON THE ELECTRONIC-PROPERTIES OF FUSED-RING POLYMERS

被引：19

作者：

LIEGENER, CM ^{[1
]}

BAKHSHI, AK ^{[1
]}

LADIK, J ^{[1
]}

机构：

[1] UNIV ERLANGEN NURNBERG,CHAIR THEORET CHEM,EGERLANDSTR 3,W-8520 ERLANGEN,GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 199卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(92)80049-H

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Large differences in the band gap and other electronic properties between polyacene, polyphenanthrene and polybenzanthracene are rationalized by topological arguments. Ab initio crystal orbital calculations are reported for the three systems.

引用

页码：62 / 64

页数：3

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