RELATION BETWEEN EFFECTIVE CONJUGATION, VIBRATIONAL FORCE-CONSTANTS AND ELECTRONIC-PROPERTIES IN POLYCONJUGATED MATERIALS

被引:14
作者
LOPEZNAVARRETE, JT [1 ]
TIAN, B [1 ]
ZERBI, G [1 ]
机构
[1] POLITECN MILAN, HOSP CHIM IND, I-20133 MILAN, ITALY
关键词
D O I
10.1016/0038-1098(90)91020-H
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
It is shown that semiempirical quantum chemical calculations predict that several electronic properties (e.g. Egap, Ip and band width) are linearly related to vibrational properties (effective conjugation force constant fya{cyrillic}). Experimental data available support this prediction. © 1990.
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页码:199 / 202
页数:4
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