Huygens Laboratory, Department of Molecular Physics, Leiden University, Leiden, The Netherlands.
J Magn Reson. 2012 Nov;224:94-100. doi: 10.1016/j.jmr.2012.09.005. Epub 2012 Sep 26.
We report continuous-wave electron-paramagnetic-resonance (EPR) spectra of the high-spin Fe(II) complex Fe(SPPh(2))(2)N at 275.7 GHz, 94.1 GHz and 9.5 GHz. Combined analysis of these EPR spectra shows that the complex occurs in multiple conformations. For two main conformations the spin-Hamiltonian parameters, which reflect the electronic structure of the complex, are accurately determined: (1) D=9.17 cm(-1) (275 GHz), E/D=0.021 and (2) D=8.87 cm(-1) (266 GHz), E/D=0.052. The EPR spectra obtained at 275.7 GHz on single crystals of the complex are essential for the analysis and in addition they reveal that the two main conformations occur at two magnetically distinguishable sites.
我们报告了在 275.7GHz、94.1GHz 和 9.5GHz 下高自旋 Fe(II)配合物 Fe(SPPh(2))(2)N的连续波电子顺磁共振(EPR)谱。这些 EPR 谱的综合分析表明，该配合物存在多种构象。对于两种主要构象，反映配合物电子结构的自旋哈密顿参数被准确确定：(1) D=9.17cm(-1)(275GHz)，E/D=0.021 和 (2) D=8.87cm(-1)(266GHz)，E/D=0.052。配合物单晶在 275.7GHz 下获得的 EPR 谱对于分析至关重要，此外，它们还表明这两种主要构象发生在两个在磁性上可区分的位置。
