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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Peculiarities of magnetic and spin effects in a biradical/stable radical complex (three-spin system). Theory and comparison with experiment
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Peculiarities of magnetic and spin effects in a biradical/stable radical complex (three-spin system). Theory and comparison with experiment

机译：双自由基/稳定基团（三自旋系统）中的磁性和自旋效应的特殊性。理论与实验比较

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摘要

The field dependencies of biradical recombination probability in the presence of paramagnetic species with spins S-3 = 1 and S-3 = 1/2 have been calculated in the framework of the density matrix formalism. To describe the effect of the "third" spin on the spin evolution in biradical, we have also considered the spin exchange interaction between the added spin and one of the paramagnetic biradical centers. A characteristic feature of the calculated field dependencies is the existence of several extrema with positions and magnitudes depending on the signs and values of the exchange integrals in the system. The method proposed can be used to describe the effect of spin catalysis. It is shown that for the system with the third spin S-3 = 1 spin catalysis manifests itself stronger than in the case of spin S-3 = 1/2. The dependence of spin catalysis efficiency on the exchange interaction with the third spin has an extremum with position independent of the value of the spin added.
机译：在密度矩阵形式框架下，计算了自旋为S-3 = 1和S-3 = 1/2的顺磁性物质存在下双自由基复合概率的场相关性。为了描述“第三”自旋对双自由基自旋演化的影响，我们还考虑了添加的自旋与顺磁性双自由基中心之一之间的自旋交换相互作用。计算出的场相关性的一个特征是存在多个极值，其位置和大小取决于系统中交换积分的符号和值。所提出的方法可用于描述自旋催化作用。结果表明，对于具有第三次自旋S-3 = 1的系统，自旋催化表现出比在自旋S-3 = 1/2的情况下更强。自旋催化效率对与第三自旋的交换相互作用的依赖性具有极值，其极值与所加自旋的值无关。

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