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

Unite de recherche en chimie physique, theorique et structurale

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

Résumé

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.

langue originale	Anglais
Pages (de - à)	1667-1669
Nombre de pages	3
journal	ChemPhysChem
Volume	9
Numéro de publication	12
Les DOIs	https://doi.org/10.1002/cphc.200800253
Etat de la publication	Publié - 25 août 2008

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10.1002/cphc.200800253

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@article{23b89ac41aeb4965b1683d2bb0a506b1,

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",

issn = "1439-4235",

publisher = "Wiley-VCH Verlag",

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TY - JOUR

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

SN - 1439-4235

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

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