A previously developed theory for the temperature-dependent resonance Raman scattering is used to study the surface-enhanced Raman scattering. Two models, the displaced oscillator model and the displaced-distorted oscillator model, based on the harmonic potential energy surfaces are carried out to calculate the surface-enhanced Raman scattering excitation profiles of the pyridine molecule adsorbed on a silver electrode, for which the density functional theory method is applied to evaluate the potential energy surfaces of the adsorption structure. In this framework, the distortion effect on the surface-enhanced Raman scattering will be discussed by comparing both models. The overlapping resonance of multiexcited electronic transitions is also studied, in which the interference between electronic transitions has been taken into account. It will be used to study the abnormal band at with the exciting radiation 457.9 nm.
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1 March 2005
Research Article|
March 03 2005
Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: Models and ab initio theoretical calculation
M. T. Lee;
M. T. Lee
Institute of Atomic and Molecular Sciences, Academia Sinica
, P.O. Box 23-166, 106 Taipei, Taiwan, Republic of China
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D. Y. Wu;
D. Y. Wu
State Key Laboratory for Physical Chemistry of Solid Surfaces, Department of Chemistry, Xiamen University
, Xiamen 361005, China
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Z. Q. Tian;
Z. Q. Tian
State Key Laboratory for Physical Chemistry of Solid Surfaces, Department of Chemistry, Xiamen University
, Xiamen 361005, China
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S. H. Lin
S. H. Lin
Institute of Atomic and Molecular Sciences, Academia Sinica
, P.O. Box 23-166, 106 Taipei, Taiwan, Republic of China
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J. Chem. Phys. 122, 094719 (2005)
Article history
Received:
September 20 2004
Accepted:
December 21 2004
Citation
M. T. Lee, D. Y. Wu, Z. Q. Tian, S. H. Lin; Effect of displacement and distortion of potential energy surfaces and overlapping resonances of electronic transitions on surface-enhanced Raman scattering: Models and ab initio theoretical calculation. J. Chem. Phys. 1 March 2005; 122 (9): 094719. https://doi.org/10.1063/1.1859283
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