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研究了过渡金属络合物ZnSiF66H2O∶Fe2+晶体光谱结构的杨特勒效应和电子顺磁共振g因子。由单晶的中子衍射方法得到ZnSiF66H2O∶Fe2+的晶体结构,这种结构可以用SiF62-和Zn(H2O)++∶Fe2+两个离子来描述。而局域三角对称的Zn(H2O)++∶Fe2+离子反映了这种晶体的主要光谱性质。利用不可约张量的理论构成了晶体场和自旋轨道相互作用哈密顿矩阵和电子顺磁共振理论公式,求出了晶体ZnSiF66H2O∶Fe2+中Fe2+离子的电子顺磁共振零场分裂参量(D,F-a)及g因子,并研究了低自旋3L态对电子顺磁共振零场分裂参量的贡献是不能忽略的,而对g因子的贡献是非常小的,并理论计算了它的晶体结构,证实了杨特勒效应的存在,理论计算的结果与实验值是相符的。
The Young’s effect and the e-paramagnetic resonance g-factor of the transition metal complex ZnSiF66H2O:Fe2 + were studied. The crystal structure of ZnSiF66H2O:Fe2 + is obtained by single crystal neutron diffraction. This structure can be described by SiF62- and Zn (H2O) ++: Fe2 + two ions. The local triangular symmetry Zn (H2O) ++: Fe2 + ions reflect the main spectral properties of this crystal. The theory of irreducible tensor is used to construct the Hamiltonian matrix and the electron paramagnetic resonance theory formula of the interaction between the crystal field and the spin orbit, and the zero-field splitting parameters of the electron paramagnetic resonance of Fe2 + ions in the crystal ZnSiF66H2O:Fe2 + Fa) and g-factor, and the contribution of low-spin 3L states to the zero-field splitting parameters of electron paramagnetic resonance can not be neglected. The contribution to g-factor is very small, and its crystal structure is calculated theoretically. The existence of the Butler effect is confirmed, and the theoretical calculation results are consistent with the experimental values.