Solvation dynamics of fluoroprobe in diethylether

Citation
R. Brown et al., Solvation dynamics of fluoroprobe in diethylether, J CHEM PHYS, 111(8), 1999, pp. 3616-3622
Citations number
36
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
8
Year of publication
1999
Pages
3616 - 3622
Database
ISI
SICI code
0021-9606(19990822)111:8<3616:SDOFID>2.0.ZU;2-6
Abstract
We present classical molecular dynamics simulations of the solvation dynami cs of a strongly polar dye molecule in a weakly polar solvent. Solvation ti mes and amplitudes are compatible with recent measurements. Several differe nces in the solvation dynamics relative to the widely studied case of stron g polar solvents are exhibited: lesser importance of the inertial component of the Stokes shift, relaxation times close to individual solvent reorient ational times, instead of the longitudinal relaxation time of the solvent, large amplitudes of translational and orientational relaxation over about 1 0 ps and the presence of a long-lived solvation shell in the excited state. (C) 1999 American Institute of Physics. [S0021-9606(99)51932-6].