A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene,Angewandte Chemie International Edition

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A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2016-01-28 , DOI: 10.1002/anie.201511019
Kartik Chandra Mondal ₁ , Sudipta Roy ₁ , Birger Dittrich ₂ , Diego M. Andrada ₃ , Gernot Frenking ₃ , Herbert W. Roesky ₁

Affiliation

Reduction of the neutral carbene tetrachlorosilane adduct (cAAC)SiCl₄ (cAAC=cyclic alkyl(amino) carbene :C(CMe₂)₂(CH₂)N(2,6‐iPr₂C₆H₃) with potassium graphite produces stable (cAAC)₃Si₃, a carbene‐stabilized triatomic silicon(0) molecule. The Si−Si bond lengths in (cAAC)₃Si₃ are 2.399(8), 2.369(8) and 2.398(8) Å, which are in the range of Si−Si single bonds. Each trigonal pyramidal silicon atom of the triangular molecule (cAAC)₃Si₃ possesses a lone pair of electrons. Its bonding, stability, and electron density distributions were studied by quantum chemical calculations.

中文翻译：

稳定的烷基（氨基）碳三原子硅（0）簇

用钾石墨还原中性卡宾四氯硅烷加合物（cAAC）SiCl ₄（cAAC =环烷基（氨基）卡宾：C（CMe ₂）₂（CH ₂）N（2,6-iPr ₂ C ₆ H ₃）（cAAC）₃ Si ₃，一个卡宾稳定的三原子硅（0）分子，（cAAC）₃ Si ₃中的Si-Si键长为2.399（8），2.369（8）和2.398（8）Å，分别为在Si-Si单键范围内三角形分子（cAAC）₃ Si _3的每个三角锥硅原子拥有一对孤电子。通过量子化学计算研究了其键合，稳定性和电子密度分布。

更新日期：2016-01-28

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