Chandra, A and Bagchi, B (1991) Inertial effects in solvation dynamics. In: Journal of Chemical Physics, 94 (4). 3177 -3182.
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The dynamics of solvation of newly created charged species in dense dipolar liquids can proceed at a high speed with time constants often in the subpicosecond domain. The motion of the solvent molecules can be in the inertial limit at such short times. In this paper we present a microscopic study of the effects of inertial motion of solvent molecules on the solvation dynamics of a newly created ion in a model dipolar liquid. Interesting dynamical behavior emerges when the relative contribution of the translational modes in the wave-vector-dependent longitudinal relaxation time is significant. Especially, the theory predicts that the time correlation function of the solvation energy can become oscillatory in some limiting situations. In general, the dynamics becomes faster in the presence of the inertial contribution. We discuss the experimental situations where the inertial effects can be noticeable.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to American Institute of Physics.|
|Keywords:||Electron-Transfer Reactions;Dipolar Liquid;Nonequilibrium Solvation;Dielectric Response;Molecular Theory;Polar Liquids;Polarization Relaxation;Solvent Dynamics;Stokes Shift;Frequency.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||18 Nov 2010 10:34|
|Last Modified:||18 Nov 2010 10:34|
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