The Structure of the Carbene Stabilized Si_2H_2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds

摘要

The cyclic alkyl(amino) carbene stabilized Si_2H_2 has been isolated in the molecular form of composition (Me-cAAC:)_2Si_2H_2 (1) and (Cy-cAAC:)_2Si_2H_2 (2) at room temperature. Compounds 1 and 2 were synthesized from the reduction of HSiCl_3 using 3 equiv of KC_8 in the presence of 1 equiv of Me-cAAC: and Cy-cAAC:, respectively. These are the first molecular examples of Si_2H_2 characterized by single crystal X-ray structural analysis. Moreover, electrospray ionization mass spectrometry and ~1H as well as ~(29)Si 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.