Solvation dynamics of fluoroprobe in diethylether

被引:8
作者
Brown, R [1 ]
Middelhoek, R
Glasbeek, M
机构
[1] CNRS, UMR 5798, Ctr Phys Mol Opt & Hertzienne, F-33405 Talence, France
[2] Univ Bordeaux 1, F-33405 Talence, France
[3] Univ Amsterdam, Phys Chem Lab, NL-1018 WS Amsterdam, Netherlands
关键词
D O I
10.1063/1.479641
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present classical molecular dynamics simulations of the solvation dynamics of a strongly polar dye molecule in a weakly polar solvent. Solvation times and amplitudes are compatible with recent measurements. Several differences in the solvation dynamics relative to the widely studied case of strong polar solvents are exhibited: lesser importance of the inertial component of the Stokes shift, relaxation times close to individual solvent reorientational times, instead of the longitudinal relaxation time of the solvent, large amplitudes of translational and orientational relaxation over about 10 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].
引用
收藏
页码:3616 / 3622
页数:7
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