Raman spectra and DFT calculations of the vibrational modes of hexahelicene

被引：5
|
作者：
Thomsen, C. [1 ]
Machon, M. [1 ]
Bahrs, S. [1 ]
机构：
[1] Tech Univ Berlin, Inst Festkorperphys, D-10623 Berlin, Germany
来源：
SOLID STATE COMMUNICATIONS | 2010年 / 150卷 / 13-14期
关键词：
Polyaromatic molecules; Vibrational eigenmodes; SCATTERING;
D O I：
10.1016/j.ssc.2009.12.033
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We performed Raman spectra of the polycyclic aromatic molecule hexahelicene and compared the approximate to 50 identified vibrational modes with those of coronene. Hexahelicene has a similar structure to coronene but lower symmetry due to a cut of the molecule in the radial direction. Correspondingly, there are many more modes in the spectra. We calculated the eigenfrequencies and eigenvectors of both molecules with density-functional calculations and compared experiment and calculation, together with an assignment of the vibrational modes of hexahelicene, and we show parallels with the important modes in 2D-graphene. (C) 2009 Elsevier Ltd. All rights reserved.
引用
收藏
页码：628 / 631
页数：4
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