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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Singlet anal triplet products off the geminate recombination of a radical pair with a single magnetic nucleus (I=1/2)
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Singlet anal triplet products off the geminate recombination of a radical pair with a single magnetic nucleus (I=1/2)

机译:自由基对与单个磁核(I = 1/2)的重叠重组产生的单线态肛门三线态产物

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摘要

The double-channel recombination and separation of the photochemically created singlet radical pair is investigated, taking into account the spin conversion in a zero magnetic field and the arbitrary initial distance between the radicals. The quantum yields of the singlet and triplet products and the free radicals production are found analytically, assuming that the recombination of the diffusing radicals occurs at contact. All the yields are related to the singlet and triplet populations of the recombining radical pair, subjected to spin conversion and contact exchange interaction. The general analytical expressions for the quantum yields are specified for the particular limits of the weak and strong exchange. They are greatly simplified in the case of polar solvents, especially at the contact start. A close similarity is obtained with the results of a previously developed incoherent model of spin conversion, provided that the conversion rate is appropriately related to the hyperfine coupling constant.
机译:考虑到零磁场中的自旋转换和自由基之间的任意初始距离,研究了光化学产生的单线态自由基对的双通道重组和分离。假设在接触时发生扩散自由基的重组,则可以通过分析发现单线态和三线态产物的量子产率和自由基的产生。所有的产量都与重组自由基对的单线态和三线态群体有关,并经历了自旋转化和接触交换相互作用。对于弱和强交换的特定极限,规定了量子产率的一般分析表达式。在极性溶剂的情况下,尤其是在接触开始时,它们大大简化了。只要转换速率与超精细耦合常数适当相关,就可以与先前开发的自旋转换的非相干模型的结果获得非常相似的结果。

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