Ab initio calculations on the vibrational behavior of ladder type oligo(p-phenylenes)

被引：0
|
作者：
Somitsch, D
Wenzl, FP
Scherf, U
Leising, G
Knoll, P
机构：
[1] Graz Univ, Inst Expt Phys, A-8010 Graz, Austria
[2] Graz Univ Technol, Inst Festkorperphys, Graz, Austria
[3] Univ Potsdam, Inst Phys & Theoret Chem, D-14476 Golm, Germany
[4] AT&S AG, Sci & Technol, Leoben, Austria
来源：
MACROMOLECULAR SYMPOSIA | 2002年 / 181卷
关键词：
D O I：
10.1002/1521-3900(200205)181:1<389::AID-MASY389>3.0.CO;2-S
中图分类号：
O63 [高分子化学（高聚物）];
学科分类号：
070305 ; 080501 ; 081704 ;
摘要：
Ab initio calculations of the Raman spectra of ladder type oligo (p-phenylenes) (LOPP) were done in order to study the influence of the side chains attached on the methine bridge and the aromatic rings. We found that the aromatic CC stretching modes and the interring CC stretching modes are significantly influenced. Due to the attachment of an aromatic side chain on the methin bridge, an additional strong mode appears in the inter-ring CC stretching region. Side chains on the aromatic rings cause a splitting of the aromatic CC stretching mode.
引用
收藏
页码：389 / 392
页数：4
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