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Time-Dependent Stokes Shift from Solvent Dielectric Relaxation
作者姓名:许婧  王全德  朱权  傅克祥  何福城  李象远
作者单位:四川大学化学学院,成都610064;四川大学化学学院,成都610064;四川大学化学工程学院,成都610065;四川大学化学工程学院,成都610065;四川大学化学工程学院,成都610065;四川大学化学工程学院,成都610065
摘    要:在单球点偶极近似下,用介电响应函数以及非平衡溶剂化能新表达形式,用随时间变化的溶剂化能计算Stokes频移响应函数. 在推导过程中利用了极化强度与介电响应函数之间的关系. 该方法应用于香豆素343的水溶液体系得到计算结果与Jimenez的实验结果吻合.

关 键 词:Stokes频移,溶剂化能,特征时间
收稿时间:2009/12/20 0:00:00

Time-Dependent Stokes Shift from Solvent Dielectric Relaxation
Jing Xu,Quan-de Wang,Quan Zhu,Ke-xiang Fu,Fu-cheng He and Xiang-yuan Li.Time-Dependent Stokes Shift from Solvent Dielectric Relaxation[J].Chinese Journal of Chemical Physics,2010,23(3):297-302.
Authors:Jing Xu  Quan-de Wang  Quan Zhu  Ke-xiang Fu  Fu-cheng He and Xiang-yuan Li
Institution:College of Chemistry, Sichuan University, Chengdu 610064, China;College of Chemistry, Sichuan University, Chengdu 610064, China;College of Chemical Engineering, Sichuan University, Chengdu 610065, China;College of Chemical Engineering, Sichuan University, Chengdu 610065, China;College of Chemical Engineering, Sichuan University, Chengdu 610065, China;College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Abstract:The Stokes shift response function, which is related to the time dependent solvation energy, is calculated with the dielectric response function and a novel expression of nonequilibrium solvation energy. In the derivation, relationship between the polarization and the dielec-tric response function is used. With the dipole-in-a-sphere model applied to the system coumarin 343 and water as the solvent, encouraging agreement with the experimental data from Jimenez et al. is obtained Nature 369, 471 (1994)].
Keywords:Stokes shift  Solvation energy  Characteristic time
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