A practical simulation and a novel insight to the magnetic field effect on a radical pair in a micelle
A practical simulation and a novel insight to the magnetic field effect on a radical pair in a micelle
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DOI：
10.1080/14767050600588106
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发表时间：
2006-05-20
影响因子：
1.7
通讯作者：
Arai, T.
中科院分区：
文献类型：
--
作者：
Maeda, K.;Miura, T.;Arai, T.
用瞬时吸收光谱研究了低磁场下胶束中自由基对的自旋混合过程。在由2-甲基-1，4-萘醌在十二烷基硫酸钠胶束中光反应生成的自由基对组成的体系中，应用了两种技术：时间分辨Mary光谱和脉冲Mary光谱。为了对实验结果进行分析，提出了一种实用的计算方法，用于模拟实验结果。在计算中，采用半经典模型对单格点Liouville方程中的超精细机制(HFM)进行了计算，其中可以考虑自旋驰豫和退相现象。讨论了HFM与松弛机制(RM)的相互关系。对HFM诱导的自旋混合过程提出了一种新的见解，该过程是由快速自旋退相现象辅助的。这一机制对Mary谱形状很重要，并顺利地连接了HFM和Rm。
The spin mixing process of a radical pair in a micelle in a low magnetic field is investigated by transient absorption detected MARY spectra. In a system comprising the radical pair generated by photoreaction of 2-methyl-1,4-naphthoquinone in sodium dodecylsulfate micelle, two techniques were applied: time resolved MARY spectra and pulsed MARY spectra. In order to analyse the results, a practical calculation method that lends itself to the simulation of experimental results has been developed. In the calculation, a semi-classical model was used for the evaluation of the hyperfine mechanism (HFM) in the single-site Liouville equation in which one can take spin relaxation and dephasing phenomena into account. The interrelation between the HFM and relaxation mechanism (RM) was discussed. A new insight into the HFM induced spin mixing process, which is assisted by fast spin dephasing phenomena, is proposed. This mechanism is important for the MARY spectral shape and connects the HFM and RM smoothly.