Importance of Acoustic Solvent Mode and Solute‐Solvent Radial Distribution Functions in Solvation Dynamics: Studied by RISM Theory
Importance of Acoustic Solvent Mode and Solute‐Solvent Radial Distribution Functions in Solvation Dynamics: Studied by RISM Theory
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声学溶剂模式和溶质-溶剂径向分布函数在溶剂化动力学中的重要性：RISM 理论研究
DOI：
10.1002/jccs.200000111
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发表时间：
2000
影响因子：
1.8
通讯作者：
T. Okada
中科院分区：
文献类型：
--
作者：
K. Nishiyama;F. Hirata;T. Okada
我们用参考相互作用位模型(RISM)理论解释了我们通过瞬时烧孔和时间分辨荧光光谱对激光染料在极性有机溶剂中的溶剂化动力学的实验[K.Nishiyama和T.Okada，J.Phys.化学。A，101(1997)5729；102(1998)9729]。实验表明，由溶质-溶剂体系的非均匀光谱带宽引起的弛豫的动态响应函数比体系的平均能量弛豫慢一个数量级。根据我们目前的理论预测，我们认为光谱宽度的驰豫动力学可能主要由溶剂声学模式(平移运动)以及第二和更多的溶剂壳的重排来表征。
We have applied the reference interaction-site model (RISM) theory to explain our experiments on solvation dynamics of laser dyes in polar organic solvents by means of the transient hole-burning and time-resolved fluorescence spectroscopy [K. Nishiyama and T. Okada, J. Phys. Chem. A, 101 (1997)5729; 102 (1998) 9729]. The experiments show that the dynamic response function of the relaxation derived from the inhomogeneous spectral band-width of the solute-solvent system relaxes about an order of magnitude slower than that of average energy of the system. On the basis of our present theoretical prediction, we suggest that the relaxation dynamics of the spectral width might be mainly characterized by the solvent acoustic mode (translational motion) as well as the rearrangement of second plus further solvent shells.