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为什么 (SiO) ((4) 被计算为四面体,而 (CO) ((4) 是正方形平面? 一个分子轨道分析

Sebastian Kozuch1, David A Hrovat, Weston Thatcher Borden

  • 1Department of Chemistry and Center for Advanced Scientific Computing and Modeling (CASCaM), University of North Texas , Denton, TX 76201, United States.

Journal of the American Chemical Society
|December 17, 2013
PubMed
概括

像 (SiO) 4和 (SiS) 4这样的四环丁化合物喜欢三重基态的四面体结构,与它们的碳同类不同. 这种几何偏好受到电子阴性差异的影响,正如 Jahn-Teller 效应所解释的那样.

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