Abstract
This study is an extension of a recent theoretical treatment for calculating the magnetization generated by the encounters of radicals and photoexcited triplets in solution. Whereas the previous study employed a restricted analytical approach to the problem, the present study takes into account a general numerical formulation for the solution of the stochastic Liouville equation to calculate the electron spin polarization generated in the radical, following its encounter with the triplet. This method considers the efficiency of triplet quenching by the radical, which is an important factor in determining the radical polarization and the triplet lifetime in the solution. In addition, numerical calculation of the diffusion process is used to obtain the overall magnetization of the radical and its time dependence. The theory presented here complies with the experimental results and allows for efficient optimization of the magnetization in terms of magnitude and overall lifetime. Such an optimization is accomplished by the proper choice of the chemical system, which is exposed to light excitation, solvent properties and temperature. The ultimate goal of this study is to achieve photo-controlled high magnetization, which can be used in a variety of novel microwave applications.
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