夹心化合物Ni（C_5H_5）_2的X_α研究

The MS-X_α Studies of Sandwich Compound Ni(C_5H_5)_2

用Ｘα方法计算了Ｎｉ（Ｃ５Ｈ５）２的电子能级与归一化电荷，讨论了夹心化合物成键的特点，并用过渡态方法分析Ｎｉ（Ｃ５Ｈ５）２的光电子能谱及紫外可见吸收光谱，结果与实验相符。

The calculations of the Xa electron energies and the normalization charges are carried out for Ni (C5H5)2. The bonding essential is discussed. The ionization energies and one electron transition energies calculated by using the transition state procedure are in agreement with the corresponding photoelectron data and UV-visible absorption spectra respectively.