Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,h...Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,how to extract the underlying electronicstructure information inevitably poses a major challenge to beginners,in particular for systems with S>1/2.In fact,the physical principles of transition metal EPR have long been well-established and since 1970s a series of dedicated voluminous monographs have been published already.Not surprisingly,they are not appropriate stating points for novices to grasp a panorama of the profound theory prior to scrutinizing in-depth references.The present review aims to fill this gap to provide a perspective of transition metal EPR and unveil some peculiar subtleties thereof on the basis of our recent work.展开更多
采用Zhao[1]等提出的μ k α配位场模型和Newman迭加模型及Marcfarlane的微扰环方法,通过拟合平均共价系数(N),统一地解释了强场下CsMgCl3:Ni2+晶体的顺磁g因子及零场分裂D值。g∥、g⊥和D值的计算结果分别为2.231、2.275和2.706,与实验...采用Zhao[1]等提出的μ k α配位场模型和Newman迭加模型及Marcfarlane的微扰环方法,通过拟合平均共价系数(N),统一地解释了强场下CsMgCl3:Ni2+晶体的顺磁g因子及零场分裂D值。g∥、g⊥和D值的计算结果分别为2.231、2.275和2.706,与实验值2.24、2.27和2.70非常吻合。展开更多
基金the financial support from Chinese Academy of Sciences,National Science Foundation of China(92161204)Max-Planck Society。
文摘Electron paramagnetic resonance(EPR)or electron spin resonance(ESR)has been widely employed to characterize transition metal complexes.However,because of the high degree of complexity of transition metal EPR spectra,how to extract the underlying electronicstructure information inevitably poses a major challenge to beginners,in particular for systems with S>1/2.In fact,the physical principles of transition metal EPR have long been well-established and since 1970s a series of dedicated voluminous monographs have been published already.Not surprisingly,they are not appropriate stating points for novices to grasp a panorama of the profound theory prior to scrutinizing in-depth references.The present review aims to fill this gap to provide a perspective of transition metal EPR and unveil some peculiar subtleties thereof on the basis of our recent work.
文摘采用Zhao[1]等提出的μ k α配位场模型和Newman迭加模型及Marcfarlane的微扰环方法,通过拟合平均共价系数(N),统一地解释了强场下CsMgCl3:Ni2+晶体的顺磁g因子及零场分裂D值。g∥、g⊥和D值的计算结果分别为2.231、2.275和2.706,与实验值2.24、2.27和2.70非常吻合。
