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- W3144080374 abstract "用INDO方法计算了硼酸镨苯并-12-冠-4配合物的电子结构、键级以及配位前后净电荷的分布。结果表明,配位时有0.6e的负电荷从冠醚氧迁移到镨上,形成的化学键具有相当程度的共价性。镨的5d轨道对共价性有主要贡献,4f电子则基本上是定域的。冠醚环上存在苯环使配合物的前线轨道具有π键性质。" @default.
- W3144080374 created "2021-04-13" @default.
- W3144080374 creator A5017405991 @default.
- W3144080374 creator A5076133044 @default.
- W3144080374 date "1986-06-24" @default.
- W3144080374 modified "2023-09-28" @default.
- W3144080374 title "硝酸镨苯并-12-冠-4配合物的电子结构研究" @default.
- W3144080374 hasPublicationYear "1986" @default.
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