FQM103 publicaciones
Publicaciones
A continuación se muestra una selección de las ultimas publicaciones más representativas agrupadas por lineas de investigación.
Espectroscopía SERS
Juan F. Arenas, David J. Fernández, Juan Soto, Isabel López-Tocón, and Juan C. Otero*Role of the Electrode Potential in the Charge-Transfer Mechanism of Surface-Enhanced Raman Scattering. JOURNAL OF PHYSICAL CHEMISTRY B 107 (47): 13143-13149 NOV 27 2003
J. F. Arenas, I. López-Tocón, J. L. Castro, S. P. Centeno, M. R. López-Ramírez and J. C. Otero*Resonant charge transfer on the nanoscale: studying doublet states of adsorbates by surface-enhanced Raman scattering. JOURNAL OF RAMAN SPECTROSCOPY. 2005; 36: 515-521
Juan F. Arenas, Juan Soto, Isabel López-Tocón, David J. Fernández, Juan C. Otero,and Juan I. MarcosThe role of charge-transfer states of the metal-adsorbate complex in surface-enhanced Raman scattering. JOURNAL OF CHEMICAL PHYSICS 116 (2002) 7207.
Lopez-Ramirez, MR (Rosa Lopez-Ramirez, Maria)[ 1 ] ; Ruiz, DA (Aranda Ruiz, Daniel)[ 1 ] ; Ferrer, FJA (Avila Ferrer, Francisco Jose)[ 1 ] ; Centeno, SP (Centeno, Silvia P.)[ 1 ] ; Arenas, JF (Arenas, Juan F.)[ 1 ] ; Otero, JC(Otero, Juan C.)[ 1 ] ; Soto, J (Soto, Juan)[ 1 ] . Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p-Aminothiophenol on the Basis of MS-CASPT2 Calculations. JOURNAL OF PHYSICAL CHEMISTRY C . Volumen: 120. Número: 34. Páginas: 19322-19328. DOI: 10.1021/acs.jpcc.6b05891.
Reactividad
Pelaez D, Arenas JF, Otero JC, and J SotoA complete active space self-consistent field study of the photochemistry of nitrosamineJOURNAL OF CHEMICAL PHYSICS 125 (16): Art. No. 164311 OCT 28 2006
Soto J, Arenas JF, Otero JC, and Pelaez DEffect of an S-1/S-0 conical intersection on the chemistry of nitramide in its ground state. A comparative CASPT2 study of the nitro-nitrite isomerization reactions in nitramide and nitromethane. JOURNAL OF PHYSICAL CHEMISTRY A 110 (26): 8221-8226 JUL 6 2006
Arenas JF, Otero JC, Pelaez D, and J SotoCASPT2 study of the decomposition of nitrosomethane and its tautomerization reactions in the ground and low-lying excited states. JOURNAL OF ORGANIC CHEMISTRY 71 (3): 983-991 FEB 3 2006
Arenas JF, Otero JC, Pelaez D, and J SotoRole of surface crossings in the photochemistry of nitromethane. JOURNAL OF CHEMICAL PHYSICS 122 (8): Art. No. 084324 FEB 22 2005
Daniel Aranda, Francisco J. Avila, Isabel López-Tocón, Juan F. Arenas, Juan C. Otero and Juan Soto. An MS-CASPT2 study of the photodecomposition of 4-methoxyphenyl azide: role of internal conversion and intersystem crossin. Phys. Chem. Chem. Phys. 2018, 20, 7764. DOI: 10.1039/c8cp00147b
Ruano, C (Ruano, Cristina)[ 1 ] ; Otero, JC (Otero, Juan C.)[ 1 ] ; Arenas, JF (Arenas, Juan F.)[ 1 ] ; Soto, J (Soto, Juan)[ 1 ] CHEMICAL PHYSICS LETTERS Volumen: 553 Páginas: 17-20 DOI: 10.1016/j.cplett.2012.09.060. Multiconfigurational second-order perturbation study of the photochemical decomposition of methyl thionitrite.
Nanoespectroscopía Raman
Centeno SP; López-Tocón I; Arenas JF; Soto J; Otero JCSelection Rules of the Charge Transfer Mechanism of Surface-Enhanced Raman Scattering (SERS): The Effect of the Adsorption on the Relative Intensities of Pyrimidine Bonded to Silver Nanoclusters.JOURNAL OF PHYSICAL CHEMISTRY B (Article in press) 2006; DOI: 10.1021/jp0621373
Roman-Perez, J (Roman-Perez, J.)[ 1 ] ; Lopez-Tocon, I (Lopez-Tocon, I.)[ 1 ] ; Castro, JL (Castro, J. L.)[ 1 ] ; Arenas, JF (Arenas, J. F.)[ 1 ] ; Soto, J (Soto, J.)[ 1 ] ; Otero, JC (Otero, J. C.)[ 1 ]. PHYSICAL CHEMISTRY CHEMICAL PHYSIC. Volumen: 17. Número: 4. Páginas: 2326-2329. DOI: 10.1039/c4cp04724a. The electronic structure of metal-molecule hybrids in charged interfaces: surface-enhanced Raman selection rules derived from plasmon-like resonances.
Roman-Perez, J (Roman-Perez, Jessica)[ 1 ] ; Ruano, C (Ruano, Cristina)[ 1 ] ; Centeno, SP (Centeno, Silvia P.)[ 1 ] ; Lopez-Tocon, I (Lopez-Tocon, Isabel)[ 1 ] ; Arenas, JF (Arenas, Juan F.)[ 1 ] ; Soto, J (Soto, Juan)[ 1 ] ; Otero, JC (Otero, Juan C.)[ 1 ]. JOURNAL OF PHYSICAL CHEMISTRY C. Volumen: 118. Número: 5. Páginas: 2718-2725. DOI: 10.1021/jp412231w. Huge Energy Gain in Metal-to-Molecule Charge Transfer Processes: A Combined Effect of an Electrical Capacitive Enhancement in Nanometer-Size Hot Spots and the Electronic Structure of the Surface Complex.
Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p-Aminothiophenol on the Basis of MS-CASPT2 Calculations.
JOURNAL OF PHYSICAL CHEMISTRY C
Volumen: 120
Número: 34
Páginas: 19322-19328
DOI: 10.1021/acs.jpcc.6b05891
Lopez-Ramirez, MR (Rosa Lopez-Ramirez, Maria)[ 1 ] ; Ruiz, DA (Aranda Ruiz, Daniel)[ 1 ] ; Ferrer, FJA (Avila Ferrer, Francisco Jose)[ 1 ] ; Centeno, SP (Centeno, Silvia P.)[ 1 ] ; Arenas, JF (Arenas, Juan F.)[ 1 ] ; Otero, JC(Otero, Juan C.)[ 1 ] ; Soto, J (Soto, Juan)[ 1 ]
