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本文给出了在络离子CuX4--(X=Cl,Br)中的配位体与中心离子的晶场能级。在考虑晶场效应之后,利用改进了的Wolfsberg-Helmholz分子轨道法,计算了该络离子的基态与一些激发态的能量。计算结果与所观察到的配位场跃迁带及电子迁移带的一些特性基本相符。Crystalline field energy levels of central ion and lingands for complex ions CuX4--(X = Cl, Br) were given. By considering the crystalline field effect, and by using the modified Wolfsberg-Helmholz 's molecular orbital approximation, the energies for the ground state and some of the excited states of these complex ions were calculated. The calculation results are in agreement with the features of the observed lingand field transition bands and electron-transfer spectra.
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