Modelling the effect of the electrode potential on the metal-adsorbate surface states: relevant states in the charge transfer mechanism of SERS

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
Hauptverfasser: Avila, Francisco, Fernandez, David J, Arenas, Juan F, Otero, Juan C, Soto, Juan
Format: Artikel
Sprache:eng
Schlagworte:
Charge transfer
Electrode potentials
Excitation
Grounds
Mathematical models
Modelling
Quantum mechanics
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Zusammenfassung: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.
ISSN:1359-7345
1364-548X
DOI:10.1039/c0cc05313a