LATTICE-DYNAMICS AND VIBRATIONAL-SPECTRA OF POLYPYRROLE

被引：290

作者：

TIAN, B ^{[1
]}

ZERBI, G ^{[1
]}

机构：

[1] POLITECN MILAN,DEPARTIMENTO CHIM IND,I-20133 MILAN,ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 92卷 / 06期

关键词：

D O I：

10.1063/1.457794

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：

The interpretation of the infrared and Raman spectra of pristine polypyrrole as 1-d lattice is presented as the result of lattice dynamical calculations. Geometries and vibrational force fields are derived from semiempirical quantum chemical calculations and/or from the optical spectra of oligomers. This paper lays the background information which are used in the second paper, which immediately follows, where the spectra of the conducting polymer are extensively discussed. © 1990 American Institute of Physics.

引用

页码：3886 / 3891

页数：6

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