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Time-Dependent Stokes Shift from Solvent Dielectric Relaxation
Jing Xu1, Quan-de Wang1, Quan Zhu2, Ke-xiang Fu2, Fu-cheng He2, Xiang-yuan Li*2
1.College of Chemistry, Sichuan University, Chengdu 610064, China;2.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)].
Key words:  Stokes shift, Solvation energy, Characteristic time
FundProject:
Time-Dependent Stokes Shift from Solvent Dielectric Relaxation
许婧1, 王全德1, 朱权2, 傅克祥2, 何福城2, 李象远*2
1.四川大学化学学院,成都610064;2.四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
DOI:10.1088/1674-0068/23/03/297-302
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