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首页> 外文期刊>Applied Magnetic Resonance >EPR of manganese-containing plasticine: Spectral simulation and use as an internal standard for comparison of the signal intensities of various free-radical EPR spectra
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EPR of manganese-containing plasticine: Spectral simulation and use as an internal standard for comparison of the signal intensities of various free-radical EPR spectra

机译：含锰橡皮泥的EPR：光谱模拟，并用作比较各种自由基EPR光谱信号强度的内标

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摘要

Electron paramagnetic resonance spectra of manganese-containing plasticine putty have been obtained both at 9.4 and 94.2 GHz (room temperature). It has been possible to analyze both, quantitatively by computer-based simulation and exact diagonalization of a general spin-Hamiltonian, by use of an appropriate powder technique. A fine fit was obtained for both frequencies with an isotropic g = 2.00117, uniaxial Mn-55 hyperfine values A(parallel to)/g(e)beta(e) = -93.5 G (where parallel to implies direction Z) and A(perpendicular to)/g(e)beta(e) = -94.3 G, a nuclear quadrupole effect P-Z(Mn-55) = 0, and a uniaxial electronic quadrupole matrix (D/g(e)beta(e) = 3D(Z)/2g(e)beta(e) = -82.8 G). The electronic octupole energy was taken into account via the single parameter B-4(0)/g(e)beta(e) = -0.024 G. The plasticine has been demonstrated to afford a fine intensity and magnetic-field standard, say, for use with free radicals such as spin-trap adducts. Examples provided are 2,2-diphenyl-1-picrylhydrazyl, and hydroxyl radical generated by the Fenton reaction and spin-trapped with 5,5-dimethyl-1-pyroline-N-oxide. [References: 20]
机译：含锰的橡皮泥腻子的电子顺磁共振光谱已在9.4和94.2 GHz（室温）下获得。通过使用适当的粉末技术，可以通过基于计算机的模拟进行定量分析，并且可以对一般自旋哈密顿量的精确对角化进行分析。对于两个频率各向同性g = 2.00117，单轴Mn-55超精细值A（平行于）/ g（e）beta（e）= -93.5 G（其中平行于Z方向）和A（垂直于）/ g（e）beta（e）= -94.3 G，核四极效应PZ（Mn-55）= 0和单轴电子四极矩阵（D / g（e）beta（e）= 3D（ Z）/ 2g（e）beta（e）= -82.8 G）。通过单个参数B-4（0）/ g（e）beta（e）= -0.024 G来考虑电子八极能量。已证明橡皮泥可提供良好的强度和磁场标准，例如，用于自由基，例如自旋陷阱加合物。提供的例子是2，2-二苯基-1-吡啶并肼基，以及通过芬顿反应产生并用5，5-二甲基-1-吡咯啉-N-氧化物自旋捕获的羟基。 [参考：20]

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