Solvation dynamics of coumarin 153 in dimethylsulfoxide-water mixtures: Molecular dynamics simulations

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...

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Detalles Bibliográficos
Autores principales: Martins, L.R., Tamashiro, A., Laria, D., Skaf, M.S.
Formato: JOUR
Materias:
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v118_n13_p5955_Martins
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Sumario: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.