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Theoretical investigation of exciplex generation under X-ray irradiation of non-polar solutions
Journal of Mathematical Chemistry ( IF 1.7 ) Pub Date : 2020-01-14 , DOI: 10.1007/s10910-020-01100-x
Alexander B. Doktorov , Alexander A. Kipriyanov

Theoretical investigation of exciplex generation under X-ray irradiation of the reacting system of non-polar solutions is consistently performed. The scheme of multistage reaction of ion-radical pairs generated under X-ray irradiation is improved as compared to that proposed in the literature previously. The possibility of excited state of electron donor formation, as well as additional channel of exciplex generation is taken into account. Formulation of the modified multistage process of exciplex generation in the framework of the theoretical approach of “effective particles” allows consistent derivation of the kinetic equations for the mean concentrations of reactants and on their basis calculation of the quantum yield of luminescence. Computations predict the change of exciplex generation efficiency under X-ray irradiation in comparison with the reaction under optical excitation. General properties of inhomogeneous sources of the obtained kinetic equations are established. A special case of the absence of excited donor generation is considered in detail, as well as the dependence of the studied values on the concentration of the electronic donor with some model simplifications.

中文翻译:

非极性溶液X射线辐照激发复合物生成的理论研究

对非极性溶液反应体系在 X 射线照射下产生激基复合物的理论研究一直在进行。与先前文献中提出的方案相比,改进了在 X 射线照射下产生的离子-自由基对的多级反应方案。电子供体形成激发态的可能性,以及激发态复合物产生的额外通道都被考虑在内。在“有效粒子”理论方法的框架内,对激基复合物生成的改进多阶段过程的制定允许反应物平均浓度的动力学方程的一致推导以及基于它们的发光量子产率的计算。与光激发下的反应相比,计算预测了 X 射线照射下激基复合物生成效率的变化。建立了所获得动力学方程的非均质来源的一般性质。详细考虑了没有激发供体生成的特殊情况,以及研究值对电子供体浓度的依赖性以及一些模型简化。
更新日期:2020-01-14
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