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Time-Dependent Stokes Shift from Solvent Dielectric Relaxation
Jing Xu,Quan-de Wang,Quan Zhu,Ke-xiang Fu,Fu-cheng He,Xiang-yuan Li*
Author NameAffiliationE-mail
Jing Xu College of Chemistry, Sichuan University, Chengdu 610064, China  
Quan-de Wang College of Chemistry, Sichuan University, Chengdu 610064, China  
Quan Zhu College of Chemical Engineering, Sichuan University, Chengdu 610065, China  
Ke-xiang Fu College of Chemical Engineering, Sichuan University, Chengdu 610065, China  
Fu-cheng He College of Chemical Engineering, Sichuan University, Chengdu 610065, China  
Xiang-yuan Li* College of Chemical Engineering, Sichuan University, Chengdu 610065, China xyli@scu.edu.cn 
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,王全德,朱权,傅克祥,何福城,李象远*
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
分类号: