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

Abstract

The cyclic alkyl(amino) carbene stabilized Si2H2 has been isolated in the molecular form of composition (Me-cAAC:)(2)Si2H2 (1) and (CycAAC:)(2)Si2H2 (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 H-1 as well as Si-29 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.