Theoretical investigation of exciplex generation under X-ray irradiation of non-polar solutions


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.

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The authors are grateful to the Federal Agency of Scientific Organizations (Projects No. 44.1.5 and No. 44.1.12), to the Russian Foundation of Basic Research (Project No. 18-03-00578) for financial support and to D.V. Stass for helpful discussions.

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Correspondence to Alexander A. Kipriyanov.

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Doktorov, A.B., Kipriyanov, A.A. Theoretical investigation of exciplex generation under X-ray irradiation of non-polar solutions. J Math Chem 58, 516–542 (2020).

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  • Exciplex
  • X-ray
  • Kinetic equations
  • Theory
  • Quantum yield
  • Luminescence