SOLVATION DYNAMICS IN METHANOL - EXPERIMENTAL AND MOLECULAR-DYNAMICS SIMULATION STUDIES

被引:159
作者
ROSENTHAL, SJ [1 ]
JIMENEZ, R [1 ]
FLEMING, GR [1 ]
KUMAR, PV [1 ]
MARONCELLI, M [1 ]
机构
[1] PENN STATE UNIV,DEPT CHEM,STATE COLL,PA
关键词
D O I
10.1016/0167-7322(94)00738-1
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 have investigated the ultrafast dynamics of methanol by time dependent fluorescent shift experiments and molecular dynamic simulations. The experiments were performed with two different probe molecules, 1-aminonaphthalene and coumarin 153. The molecular dynamic simulations employed these probes as well as small atomic and diatomic solutes. We find a previously unobserved fast decay component in the solvation response of methanol. The molecular dynamics results are in good agreement with this experimental result. The origin of this fast response and the linearity of the solvent response are discussed.
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页码:25 / 56
页数:32
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