ja6b07361_si_004.cif (626.41 kB)
The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds
dataset
posted on 2016-08-05, 00:00 authored by Chandrajeet Mohapatra, Subrata Kundu, Alexander
N. Paesch, Regine Herbst-Irmer, Dietmar Stalke, Diego M. Andrada, Gernot Frenking, Herbert W. RoeskyThe 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.
