Modelling the effect of the electrode potential on the metal-adsorbate surface states: relevant states in the charge transfer mechanism of SERS
Quantum mechanical calculations of the ground and excited electronic states of several [Ag(n)-pyridine](q) complexes yield a linear dependence of the energies of the surface states, especially the metal-to-molecule charge transfer states, on q(eff) = q/n. This is the first theoretical approach to mo...
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Veröffentlicht in: | Chemical communications (Cambridge, England) England), 2011-01, Vol.47 (14), p.4210-4212 |
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creator | Avila, Francisco Fernandez, David J Arenas, Juan F Otero, Juan C Soto, Juan |
description | Quantum mechanical calculations of the ground and excited electronic states of several [Ag(n)-pyridine](q) complexes yield a linear dependence of the energies of the surface states, especially the metal-to-molecule charge transfer states, on q(eff) = q/n. This is the first theoretical approach to modelling the effect of the electrode potential on SERS. |
doi_str_mv | 10.1039/c0cc05313a |
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subjects | Charge transfer Electrode potentials Excitation Grounds Mathematical models Modelling Quantum mechanics |
title | Modelling the effect of the electrode potential on the metal-adsorbate surface states: relevant states in the charge transfer mechanism of SERS |
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