The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds

The cyclic alkyl­(amino) carbene stabilized Si2H2 has been isolated in the molecular form of composition (Me-cAAC:)2Si2H2 (1) and (Cy-cAAC:)2Si2H2 (2) at room temperature. Compounds 1 and 2 were synthesized from the reduction of HSiCl3 using 3 equiv of KC8 in the presence of 1 equiv of Me-cAAC: and Cy-cAAC:, respectively. These are the first molecular examples of Si2H2 characterized by single crystal X-ray structural analysis. Moreover, electrospray ionization mass spectrometry and 1H as well as 29Si NMR data are reported. Furthermore, the structure of compound 1 has been investigated by theoretical methods. The theoretical analysis of 1 explains equally well its structure with coordinate bonds as with classical double bonds of a 2,3-disila-1,3-butadiene.环烷基(氨基)卡宾（cyclic alkyl(amino) carbene）稳定的Si₂H₂，可在室温下以组成式为(Me-cAAC:)₂Si₂H₂（1）与(Cy-cAAC:)₂Si₂H₂（2）的分子形式被分离得到。化合物1与2分别是在1当量的Me-cAAC:与Cy-cAAC:存在下，通过使用3当量的KC8还原三氯硅烷（HSiCl₃）制得的。这是首例通过单晶X射线结构分析表征的Si₂H₂分子物种。此外，本文还报道了该类化合物的电喷雾电离质谱、¹H及²⁹Si核磁共振光谱数据。进一步地，研究者通过理论计算方法对化合物1的结构进行了研究，针对化合物1的理论分析表明，其结构既可以通过配位键进行阐释，也可类比2,3-二硅-1,3-丁二烯的经典双键结构予以合理解释。