Electron spin resonance line shapes of randomly oriented molecules in septet and nonet states by a perturbation approach
Electron spin resonance line shapes of randomly oriented molecules in septet and nonet states by a perturbation approach
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通过微扰方法研究七重态和九重态随机取向分子的电子自旋共振线形状
DOI：
10.1063/1.449518
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发表时间：
1985
影响因子：
4.4
通讯作者：
H. Iwamura
中科院分区：
文献类型：
--
作者：
Y. Teki;T. Takui;H. Yagi;K. Itoh;H. Iwamura
本文用精细结构能量的三阶微扰处理公式分析了随机取向分子在七重态和九重态的电子自旋共振谱线形状。该方法适用于基态七重烃，3，3 '-二苯基亚甲基双（苯基亚甲基），和基态九重烃，间亚苯基双[（二苯基亚甲基-3-基）亚甲基]，随机取向的混合多晶粉末的二苯甲酮。它表明，g因子和精细结构参数是由K带光谱的线形确定的，其精度几乎与单晶实验相同。除了对应于外部磁场的正则线之外，还观察到沿着精细结构张量的主轴沿着的额外线。相对于三阶微扰理论，讨论了七重态和九重态分子光谱中额外谱线的出现。
The electron spin resonance line shapes of randomly oriented molecules in septet and nonet states are analyzed in terms of the formulas derived from a perturbation treatment to third‐order in the fine‐structure energy. The method is applied to a ground‐state septet hydrocarbon, 3, 3’‐diphenylmethylenebis (phenylmethylene), and a ground‐state nonet hydrocarbon, m‐phenylenebis[(diphenylmethylen‐3‐yl)methylene], randomly oriented in mixed polycrystalline powders of benzophenone. It is shown that the g factor and the fine‐structure parameters are determined from the line shapes of a K‐band spectrum with nearly the same accuracy as in a single‐crystal experiment. Extra lines have been observed in addition to the canonical lines corresponding to the external magnetic field along the principal axes of the fine‐structure tensor. The appearance of extra lines in the spectra of septet and nonet molecules is discussed relative to the third‐order perturbation theory.