首页> 外文期刊>Journal of the Korean Chemical Society >Calculation of the Magnetic Moments for Transition Metal Complexes (). The Magnetic Moments for Distorted Octahedral [Ti()A3B3] Type Complexes [A and B = Cl, O, N, Br]
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Calculation of the Magnetic Moments for Transition Metal Complexes (). The Magnetic Moments for Distorted Octahedral [Ti()A3B3] Type Complexes [A and B = Cl, O, N, Br]

机译:过渡金属配合物的磁矩的计算()。扭曲八面体[Ti()A3B3]型配合物[A和B = Cl,O,N,Br]的磁矩

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摘要

A formula for calculation of the magnetic moments for octahedral [Ti(¥2)A3B3] type complexes with axial symmetry has been developed and the magnetic moments for these complexes are calculated, using the experimental values of the distortion parameters(¥?), spin-orbit coupling constants and orbital reduction factors. The calculated magnetic moments for axially distorted octahedral [Ti(¥2)A3B3] type complexes are in resonable agreement with the experimental valuest It is found that the calculated magnetic moments decrease as the extent of axial distortion increases and the orbital reduction factor decreases. A calculation method of the magnetic moments for octahedral [Ti(¥2)A3B3] type complexes which are in a ligand field of lower than axial symmetry has also been developed and the structure of distorted octahedral [Ti(¥2)A3B3] type complexes are discussed on the basis of the of the calculated magnetic moments.
机译:研制了具有轴对称性的八面体[Ti(¥ 2)A3B3]型配合物的磁矩计算公式,并利用畸变参数(¥?)的实验值计算了这些配合物的磁矩。轨道耦合常数和轨道缩减因子。轴向畸变的八面体[Ti(¥ 2)A3B3]型配合物的计算磁矩与实验值t吻合。发现随着轴向畸变程度的增加和轨道折减系数的减小,计算出的磁矩减小。还研究了配体场低于轴向对称性的八面体[Ti(¥ 2)A3B3]型配合物的磁矩的计算方法,以及扭曲的八面体[Ti(¥ 2)A3B3]型配合物的结构。在计算出的磁矩的基础上讨论。

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