INFRARED AND RAMAN ACTIVITY OF POLYENES IN PRISTINE AND DOPED STATE

被引:1
作者
CASTIGLIONI, C [1 ]
RABAIOLI, R [1 ]
ZERBI, G [1 ]
GUSSONI, M [1 ]
机构
[1] CNR,IST CHIM FIS APPLICATA MAT,GENOA,ITALY
关键词
D O I
10.1016/0379-6779(91)91325-5
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The activity of a normal mode in vibrational spectra of polyenes (short, long or infinite) can be essentially represented by the quantity delta-PHI/delta-RL(Ri). PHI is the molecular dipole moment mu --> in IR and the molecular polarizability ((alpha)) in Raman respectively. R is the "effective conjugation coordinate" and L(R)i is the content of in the i-th mode. Delta-mu-->/delta-R vanishes in pristine compounds and is large in doped and photoexcited ones; [GRAPHICS] delta((alpha))/delta-R is large for udoped chains and practically vanishing for doped ones. This statement originates from the interpretation of vibrational spectra [1] but is also supported by results of abinitio calculations made by Villars, Dupuis and Clementi [2].
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页码:3453 / 3456
页数:4
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