A molecular dynamics computer simulation study of room-temperature ionic liquids. II. Equilibrium and nonequilibrium solvation dynamics
نویسندگان
چکیده
منابع مشابه
A molecular dynamics computer simulation study of room-temperature ionic liquids. I. Equilibrium solvation structure and free energetics.
Solvation in 1-ethyl-3-methylmidazolium chloride and in 1-ethyl-3-methylimidazolium hexafluorophosphate near equilibrium is investigated via molecular dynamics computer simulations with diatomic and benzenelike molecules employed as probe solutes. It is found that electrostriction plays an important role in both solvation structure and free energetics. The angular and radial distributions of ca...
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Room temperature ionic liquids (RTILs) have attracted tremendous interest in recent years as promising media, which could be an alternative to the environmentpolluting, volatile common organic solvents. In this article, we focus on the studies of dynamic Stokes shift of the fluorescence spectra of dipolar solutes in RTILs. These studies throw light on the nature of solvation dynamics in media t...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2005
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1819318