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本文介绍了生成轨道的概念,阐明了由生成轨道定性推求离域分子轨道和定域分子轨道及其能级的方法,并运用生成轨道法讨论了重键的两种定域模型以及络合物CoF_3~(-3)的离域分子轨道的形成和能级图。
This paper introduces the concept of orbital generation, expounds the method of deriving the delocalized and orbital molecular orbitals and their energy levels qualitatively by generating orbitals, and discusses the two localization models of heavy bond and the complex Formation and energy level diagrams of delocalized molecular orbitals of CoF_3 ~ (-3).