Artículo
Martins, L.R.; Tamashiro, A.; Laria, D.; Skaf, M.S. "Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations" (2003) Journal of Chemical Physics. 118(13):5955-5963
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Abstract:
Molecular dynamics simulations of the solvation dynamics in DMSO/water mixtures using a more realistic representation for the solute probe are discussed. This is largely motivated by recent time-resolved fluorescence upconversion experiments on these mixtures with coumarin as chromophore. This paper aims to explore the microscopic mechanisms that underlie the solvent response in these systems, and to investigate to what extent the unusual characteristics of the ionic solvation dynamics persist when the solute perturbation is given by a more spatially distributed charge transfer.
Registro:
| Documento: | Artículo |
| Título: | Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations |
| Autor: | Martins, L.R.; Tamashiro, A.; Laria, D.; Skaf, M.S. |
| Filiación: | Instituto de Quimica, Universidade Estadual de Campinas, Cx. P. 6154, Campinas, SP 13083-970, Brazil Unidad Actividad Quimica, Comision Nacional de Energia Atomica, Avenida Libertador 8250, 1429, Buenos Aires, Argentina Departamento de Quimica Inorganica, Universidad de Buenos Aires, Analitica y Quimica-Fisica INQUIMAE, Pabellón II, 1428, Buenos Aires, Argentina |
| Palabras clave: | Atomic physics; Charge transfer; Composition; Computer simulation; Diffusion; Fluorescence; Mathematical models; Mixtures; Organic compounds; Relaxation processes; Solubility; Water; All-atom model; Coumarin; Dimethylsulfoxide; Solute probe; Solvation dynamics; Solvation responses; Molecular dynamics |
| Año: | 2003 |
| Volumen: | 118 |
| Número: | 13 |
| Página de inicio: | 5955 |
| Página de fin: | 5963 |
| DOI: | http://dx.doi.org/10.1063/1.1556296 |
| Título revista: | Journal of Chemical Physics |
| Título revista abreviado: | J Chem Phys |
| ISSN: | 00219606 |
| CODEN: | JCPSA |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v118_n13_p5955_Martins |
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Citas:
---------- APA ----------
Martins, L.R., Tamashiro, A., Laria, D. & Skaf, M.S. (2003) . Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations. Journal of Chemical Physics, 118(13), 5955-5963.http://dx.doi.org/10.1063/1.1556296
---------- CHICAGO ----------
Martins, L.R., Tamashiro, A., Laria, D., Skaf, M.S. "Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations" . Journal of Chemical Physics 118, no. 13 (2003) : 5955-5963.http://dx.doi.org/10.1063/1.1556296
---------- MLA ----------
Martins, L.R., Tamashiro, A., Laria, D., Skaf, M.S. "Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations" . Journal of Chemical Physics, vol. 118, no. 13, 2003, pp. 5955-5963.http://dx.doi.org/10.1063/1.1556296
---------- VANCOUVER ----------
Martins, L.R., Tamashiro, A., Laria, D., Skaf, M.S. Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations. J Chem Phys. 2003;118(13):5955-5963.http://dx.doi.org/10.1063/1.1556296
