针对Nikulski等人合成的Ni(puH) 2 (ClO4) 2 ·3H2 O配合物 ,我们利用配位场的方法进行了理论计算 ,确定了该配合物的空间构型为C2v,得出了各吸收谱的理论归属与相应的晶体场参数 ,在C2v对称下 ,求得了该络合物的磁矩 (μeff=3.0 4)与实验测定一致 (误差为 3.4% ) ,从而说明了 ,我们确定的该配合物的空间对称是正确的 For the Ni (puH) 2 (ClO4) 2 · 3H2O complex synthesized by Nikulski et al., We calculated the complex structure of the complex by C2v using the coordination field method and found that each absorption Under the C2v symmetry, the magnetic moment (μeff = 3.04) of the complex was found to be in agreement with the experimental one (with an error of 3.4%). This shows that the Symmetric spatial symmetry is correct