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

被引：48

作者：

Avila, Francisco ^{[1
]}

Fernandez, David J. ^{[1
]}

Arenas, Juan F. ^{[1
]}

Otero, Juan C. ^{[1
]}

Soto, Juan ^{[1
]}

机构：

[1] Univ Malaga, Fac Sci, Dept Phys Chem, Unidad Asociada CSIC, E-29071 Malaga, Spain

来源：

CHEMICAL COMMUNICATIONS | 2011年 / 47卷 / 14期

关键词：

ENHANCED RAMAN-SCATTERING; PYRIMIDINE; PYRAZINE; SILVER;

D O I：

10.1039/c0cc05313a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：4210 / 4212

页数：3

共 19 条

[1]

[Anonymous], ANN PHYS

[2] Resonant charge transfer on the nanoscale:: studying doublet states of adsorbates by surface-enhanced Raman scattering [J].

Arenas, JF ;

López-Tocón, I ;

Castro, SP ;

López-Ramírez, MR ;

Otero, JC .

JOURNAL OF RAMAN SPECTROSCOPY, 2005, 36 (6-7) :515-521

[3] Role of the electrode potential in the charge-transfer mechanism of surface-enhanced Raman scattering [J].

Arenas, JF ;

Fernández, DJ ;

Soto, J ;

López-Tocón, I ;

Otero, JC .

JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (47) :13143-13149

[4] The role of charge-transfer states of the metal-adsorbate complex in surface-enhanced Raman scattering [J].

Arenas, JF ;

Soto, J ;

Tocón, IL ;

Fernández, DJ ;

Otero, JC ;

Marcos, JI .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (16) :7207-7216

[5] Outstanding Role of Silver Nanoparticles in the Surface-Enhanced Resonance Raman Scattering of p-Benzosemiquinone [J].

Avila, Francisco ;

Soto, Juan ;

Arenas, Juan F. ;

Rodriguez, Juan A. ;

Pelaez, Daniel ;

Otero, Juan C. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (01) :105-108

[6] Selection rules of the charge transfer mechanism of surface-enhanced Raman scattering:: The effect of the adsorption on the relative intensities of pyrimidine bonded to silver nanoclusters [J].

Centeno, Silvia P. ;

Lopez-Tocon, Isabel ;

Arenas, Juan F. ;

Soto, Juan ;

Otero, Juan C. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (30) :14916-14922

[7] The multi-state CASPT2 method [J].

Finley, J ;

Malmqvist, PA ;

Roos, BO ;

Serrano-Andres, L .

CHEMICAL PHYSICS LETTERS, 1998, 288 (2-4) :299-306

[8]

Frisch M. J., 2016, Gaussian 03 Revision B.03

[9]

HAY PJ, 1985, J CHEM PHYS, V82, P270, DOI 10.1063/1.448799

[10] RELATIVISTIC ELECTRONIC-STRUCTURE CALCULATIONS EMPLOYING A 2-COMPONENT NO-PAIR FORMALISM WITH EXTERNAL-FIELD PROJECTION OPERATORS [J].

HESS, BA .

PHYSICAL REVIEW A, 1986, 33 (06) :3742-3748

← 1 2 →