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Theoretical study on SERRS of rhodamine 6G adsorbed on Ag 2 cluster: chemical mechanism via intermolecular or intramolecular charge transfer
Author(s) -
Liu Shasha,
Wan Songbo,
Chen Maodu,
Sun Mengtao
Publication year - 2008
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1958
Subject(s) - rhodamine 6g , intramolecular force , intermolecular force , raman scattering , chemistry , excited state , resonance (particle physics) , photochemistry , raman spectroscopy , cluster (spacecraft) , chemical physics , molecule , atomic physics , optics , stereochemistry , organic chemistry , physics , computer science , programming language
The problem of the chemical enhancement of rhodamine 6G (R6G) adsorbed on silver cluster has been theoretically investigated by charge difference densities (CDDs) to show the direct charge transfer (CT) evidence. For surface‐enhanced resonance Raman scattering (SERRS) of R6G excited at 514.5 nm, the enhancements of v (151) and v (154) result from weak intermolecular (from Ag to R6G) CT and the strong intramolecular CT [similar to that of resonance Raman scattering (RRS) of R6G], respectively. The possibility of the SERRS of R6G contributed from pure intermolecular CT is also discussed, when the incident light is close to the new metal–R6G CT excited state at 1571.4 nm. Meanwhile compared with the absorption process the fluorescence yield of R6G is investigated by transition densities and CCDs. Copyright © 2008 John Wiley & Sons, Ltd.