The Structure of the Carbene Stabilized Si<sub>2</sub>H<sub>2</sub> May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds Chandrajeet Mohapatra Subrata Kundu Alexander N. Paesch Regine Herbst-Irmer Dietmar Stalke Diego M. Andrada Gernot Frenking Herbert W. Roesky 10.1021/jacs.6b07361.s004 https://acs.figshare.com/articles/dataset/The_Structure_of_the_Carbene_Stabilized_Si_sub_2_sub_H_sub_2_sub_May_Be_Equally_Well_Described_with_Coordinate_Bonds_as_with_Classical_Double_Bonds/3586041 The cyclic alkyl­(amino) carbene stabilized Si<sub>2</sub>H<sub>2</sub> has been isolated in the molecular form of composition (Me-cAAC:)<sub>2</sub>Si<sub>2</sub>H<sub>2</sub> (<b>1</b>) and (Cy-cAAC:)<sub>2</sub>Si<sub>2</sub>H<sub>2</sub> (<b>2</b>) at room temperature. Compounds <b>1</b> and <b>2</b> were synthesized from the reduction of HSiCl<sub>3</sub> using 3 equiv of KC<sub>8</sub> in the presence of 1 equiv of Me-cAAC: and Cy-cAAC:, respectively. These are the first molecular examples of Si<sub>2</sub>H<sub>2</sub> characterized by single crystal X-ray structural analysis. Moreover, electrospray ionization mass spectrometry and <sup>1</sup>H as well as <sup>29</sup>Si NMR data are reported. Furthermore, the structure of compound <b>1</b> has been investigated by theoretical methods. The theoretical analysis of <b>1</b> explains equally well its structure with coordinate bonds as with classical double bonds of a 2,3-disila-1,3-butadiene. 2016-08-05 00:00:00 compound 1 Carbene Stabilized Si 2 H 2 May Compounds 1 KC 8 Coordinate Bonds Si 2 H 2 1 equiv 29 Si NMR data 1 H HSiCl 3 room temperature 3 equiv electrospray ionization mass spectrometry Classical Double Bonds