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Role of the electrode potential in the charge-transfer mechanism of surface-enhanced Raman scattering

Article Abstract:

A general model concerning the role of the electrode potential on the charge-transfer enhancement mechanism of SERS is extended to exemplify the existence of a parameter beta, which reduces the effectiveness of the electrode potential in order to shift the excited charge-transfer level. The participation of a resonant charge-transfer mechanism in the SERS as well as the usefulness of the technique to gain insight into the electronic properties of the doublet states of the investigated molecules is provided.

Charge transfer

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Raman scattering in crystalline oligothiophenes: A comparison between density functional theory and bond polarizability model

Article Abstract:

Nonlinear response formalism is used to investigate Raman intensity of intramolecular and lattice modes of crystalline [alpha]-bithiophene ([alpha]-2T), within density functional theory. It is demonstrated that the first principle based on comparison of the calculated Raman spectrum and the experimental data, and bond polarizability model approaches are powerful complementary tools to calculate the nonresonant Raman spectrum of [alpha]-2T and predict on larger oligothiophenes.

Analysis, Structure, Chemical properties, Thiophene, Report

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Surface-enhanced Raman scattering and density functional theoretical study of anthranil adsorbed on colloidal silver particles

Article Abstract:

Surface-enhanced Raman spectrum of anthranil (2,1-benzisoxazole) in activated silver colloid was recorded and compared with the conventional Raman spectrum. Based on the results of density functional theory (DFT) calculations, the experimentally observed Raman bands along with their assigned corresponding infrared bands.

Silver compounds, Atomic properties

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