On the role of solvent in formation and relaxation of molecular exciplex

I. Deperasińska, E. Gaweda, M. Mandziuk, J. Prochorow
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引用次数: 1

Abstract

The processes of formation and of relaxation of molecular exciplex in solution are discussed in the framework of method which incorporates solvent parameters into calculations of potential energy curves of different states attainable by exciplex system. An analysis of the results of calculations shows that intramolecular vibrations are serving as acceptors for energy dissipated by the system in the formation process and that this accepting ability can be modified by solvent polarity. It is also shown that the most important role is played by solvent in the relaxation of encounter complex to “equilibrium” exciplex.

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溶剂在分子异构体形成和松弛中的作用
在将溶剂参数纳入共轭体系不同状态势能曲线计算的方法框架下,讨论了分子共轭体系在溶液中的形成过程和弛豫过程。对计算结果的分析表明,分子内振动是系统在形成过程中耗散能量的受体,并且这种接受能力可以通过溶剂极性来改变。研究还表明,溶剂在遇络合物弛豫到“平衡”外络合物的过程中起着最重要的作用。
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