d^(5)系C_(2h)点群强场方案和MnCl_(2)·2H_(2)O的吸收谱

The Strong Field Scheme of Point Group C2hfor System d5and the Absorption Spectrum of MnCl_(2)·H_(2)O

利用一种处理低对称络离子吸收谱强场方案,推出d^(5)系C_(2h)点群不可约表示对应的能量矩阵。考虑振动电子偶合及双电子激发,解释了MnCl_(2)·2H_(2)O晶体中Mn^(2+)的复杂吸收谱。确认了Mn^(2+)络离子晶场的C_(2h)对称性。

A simple and convenient strong field scheme for treating the absorption spectra of the complex ions with lower symmetry groups is suggested.The complete energy matrices of terms corresponding to the irreducible representations of C_(2h) point group for d^(5) system are derived.The complicated electronic absorption spectrum of Mn^(2+)in MnCl_(2)·2H_(2)O is analyzed and explained by means of these matrices and by considering the vibronic coupling and double electron excitation.