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

Julien Guthmuller; Benoît Champagne

doi:10.1002/cphc.200800253

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

Julien Guthmuller, Benoît Champagne

Unit of theoretical and structural physico-chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	1667-1669
Number of pages	3
Journal	ChemPhysChem
Volume	9
Issue number	12
DOIs	https://doi.org/10.1002/cphc.200800253
Publication status	Published - 25 Aug 2008

Keywords

Density functional calculations
Resonant Raman spectroscopy
Rhodamine 6G
Vibrational spectroscopy
Vibronic coupling

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10.1002/cphc.200800253

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

abstract = "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.",

keywords = "Density functional calculations, Resonant Raman spectroscopy, Rhodamine 6G, Vibrational spectroscopy, Vibronic coupling",

author = "Julien Guthmuller and Beno{\^i}t Champagne",

year = "2008",

month = aug,

day = "25",

doi = "10.1002/cphc.200800253",

language = "English",

volume = "9",

pages = "1667--1669",

journal = "ChemPhysChem",

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publisher = "Wiley-VCH Verlag",

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T1 - Resonance Raman spectra and Raman excitation profiles of rhodamine 6G from time-dependent density functional theory

AU - Guthmuller, Julien

AU - Champagne, Benoît

PY - 2008/8/25

Y1 - 2008/8/25

N2 - 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.

AB - 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.

KW - Density functional calculations

KW - Resonant Raman spectroscopy

KW - Rhodamine 6G

KW - Vibrational spectroscopy

KW - Vibronic coupling

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U2 - 10.1002/cphc.200800253

DO - 10.1002/cphc.200800253

M3 - Article

AN - SCOPUS:51249103619

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VL - 9

SP - 1667

EP - 1669

JO - ChemPhysChem

JF - ChemPhysChem

IS - 12

ER -

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

Abstract

Keywords

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