A simple interpretation of polar solvation dynamics

M. Maroncelli; Vijaya P. Kumar; Arno Papazyan

doi:10.1021/j100103a004

A simple interpretation of polar solvation dynamics

M. Maroncelli, Vijaya P. Kumar, Arno Papazyan

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Abstract

In this letter we describe an approximate relationship between the solvation response to changes in solute charge, C_V(t), and the reorientational dynamics of molecules in the pure solvent, C₁(t). Computer simulations show that the function {C₁(t)}^αz, where α_s is the solvent dipole density, provides a good approximation to C_V(t) in a wide variety of systems. This result leads to a simple and intuitive interpretation of the solvation response in terms of molecular motions.

Original language	English (US)
Pages (from-to)	13-17
Number of pages	5
Journal	Journal of physical chemistry
Volume	97
Issue number	1
DOIs	https://doi.org/10.1021/j100103a004
State	Published - Jan 1 1993

All Science Journal Classification (ASJC) codes

General Engineering
Physical and Theoretical Chemistry

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10.1021/j100103a004

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title = "A simple interpretation of polar solvation dynamics",

abstract = "In this letter we describe an approximate relationship between the solvation response to changes in solute charge, CV(t), and the reorientational dynamics of molecules in the pure solvent, C1(t). Computer simulations show that the function {C1(t)}αz, where αs is the solvent dipole density, provides a good approximation to CV(t) in a wide variety of systems. This result leads to a simple and intuitive interpretation of the solvation response in terms of molecular motions.",

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AU - Kumar, Vijaya P.

AU - Papazyan, Arno

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N2 - In this letter we describe an approximate relationship between the solvation response to changes in solute charge, CV(t), and the reorientational dynamics of molecules in the pure solvent, C1(t). Computer simulations show that the function {C1(t)}αz, where αs is the solvent dipole density, provides a good approximation to CV(t) in a wide variety of systems. This result leads to a simple and intuitive interpretation of the solvation response in terms of molecular motions.

AB - In this letter we describe an approximate relationship between the solvation response to changes in solute charge, CV(t), and the reorientational dynamics of molecules in the pure solvent, C1(t). Computer simulations show that the function {C1(t)}αz, where αs is the solvent dipole density, provides a good approximation to CV(t) in a wide variety of systems. This result leads to a simple and intuitive interpretation of the solvation response in terms of molecular motions.

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A simple interpretation of polar solvation dynamics

Abstract

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