首页> 外文期刊>Solid State Communications >Raman spectra and DFT calculations of the vibrational modes of hexahelicene
【24h】

Raman spectra and DFT calculations of the vibrational modes of hexahelicene

机译:Raman spectra and DFT calculations of the vibrational modes of hexahelicene

获取原文
获取原文并翻译 | 示例
           

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.

著录项

获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号