为什么四面体场配合物d轨道发生能级分裂时dxzdzydyz的能量比dx2-y2和dz2的高?而八面体场配合物却相反呢?

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为什么四面体场配合物d轨道发生能级分裂时dxzdzydyz的能量比dx2-y2和dz2的高?而八面体场配合物却相反呢?,第1张

根据“晶体场”理论,八面体场配合物中六对配位电子对是沿正,负X,Y,Z轴向逼近金属离子的d轨道的。由于静电排斥的作用,将金属的dx2-y2和dz2轨道能级推高了。而dxz,dzy,dyz方向上无这种作用,故能量不变(较前者为低)。四面体场配合物中四对配位电子对是沿XY,YZ,XZ方向逼近金属离子的d轨道的。由于静电排斥的作用,将金属的dxz,dzy,dyz轨道能级推高了。而X,Y,Z方向上无这种作用,故dx2-y2和dz2轨道能量不变(较前者为低)。用配位场分子轨道理论可以更完美的解释。但是,需要更多的预备知识。

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