SIMULATIONS OF SOLVATION DYNAMICS USING A NONLINEAR RESPONSE APPROACH

Authors
VANDERMEULEN P JONKMAN AM GLASBEEK M
Citation
P. Vandermeulen et al., SIMULATIONS OF SOLVATION DYNAMICS USING A NONLINEAR RESPONSE APPROACH, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(11), 1998, pp. 1906-1911
Citations number
62
Categorie Soggetti
Chemistry Physical
Journal title
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory → ACNP
ISSN journal
10895639
Volume
102
Issue
11
Year of publication
1998
Pages
1906 - 1911
Database
ISI
SICI code
1089-5639(1998)102:11<1906:SOSDUA>2.0.ZU;2-A
Abstract
Simulations of the time evolution of the probability distribution func tion of the solvation coordinate of a solute In liquid solution are pr esented. Assuming impulsive excitation of the ground-state population to the excited-state free energy surface, the time dependence of the p robability distribution function of the solvation coordinate is obtain ed by solving the Smoluchowski diffusion equation. Emphasis is on the influence of anharmonicity in the expression for the free energy surfa ces on the solvation dynamics and its implications for time-resolved f luorescence measurements.