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本文基于重组现象简单的改进模型及离子—偶极子俘获力场势函数,提出了描述电子转移过程中溶液水合离子内氛重组织效应的能量指标的一种新的形式。计算结果表明该工作有效地改进了前人的工作,取得了与实验光谱标度数据一致的规律性,并与光发射实验结果吻合较好,它避免了因缺乏溶液中可信的振动光谱数据在计算内氛重组能上的困难,通过易得的离子和配体的物理量给出了一种简便的分析方法。
In this paper, based on the simple improved model of recombination phenomenon and the potential function of ion-dipole trapping force, a new form for describing the energy index of the reorganization effect of solution hydration ion atmosphere during electron transfer is proposed. The calculation results show that this work effectively improves the work of predecessors and achieves the same regularity with the experimental spectral scale data, which is in good agreement with the experimental results of light emission. It avoids the lack of reliable vibrational spectroscopy data in solution In the calculation of the difficulty of the reorganization of the atmosphere, a readily available analytical method is given by the readily available quantities of ions and ligands.