Time-dependent Stokes shift and its calculation from solvent dielectric dispersion data
Time-dependent Stokes shift and its calculation from solvent dielectric dispersion data
复制标题
DOI：
10.1021/jp9630885
复制
发表时间：
1997-04-03
影响因子：
3.3
通讯作者：
Marcus, RA
中科院分区：
文献类型：
--
作者：
Hsu, CP;Song, XY;Marcus, RA
时间依赖的溶剂化相关函数（斯托克斯位移响应函数），它描述了溶剂响应的溶质分子的电荷分布的突然变化，在这里直接计算从实验测量的介电色散数据，ω（Ω），溶剂。在计算中使用了具有介电连续体假设的反应场。这个简单的模型被应用到Jimenez等人的实验结果。光激发香豆素和水作为溶剂，并获得令人鼓舞的协议使用的实验数据对ω（ω）。
The time-dependent solvation correlation function (the Stokes shift response function), which describes the solvent response to a sudden change in the charge distribution of a solute molecule, is calculated here directly from experimentally measured dielectric dispersion data, epsilon(omega), of the solvent. In the calculation a reaction field with the dielectric continuum assumption is used. This simple model is applied to the experimental results of Jimenez et al. for photoexcited coumarin and water as a solvent, and encouraging agreement is obtained using the experimental data on epsilon(omega).