Resonance Raman spectra and Raman excitation profiles of rhodamine 6G from time-dependent density functional theory

被引：36

作者：

Guthmuller, Julien ^{[1
]}

Champagne, Benoit ^{[1
]}

机构：

[1] Fac Univ Notre Dame Paix, Lab Chim Theor Appl, B-5000 Namur, Belgium

来源：

CHEMPHYSCHEM | 2008年 / 9卷 / 12期

关键词：

density functional calculations; resonant Raman spectroscopy; rhodamine; 6G; vibrational spectroscopy; vibronic coupling;

D O I：

10.1002/cphc.200800253

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：

Modeling spectra: Theoretical approaches are employed to reproduce and interpret the resonant Raman spectra of Rhodamine 6G (see figure) and evidence the impact of the ground to excited state geometry modifications on the excitation profiles via vibronic coupling mechanisms. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1667 / 1669

页数：3

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