The Structure of the Carbene Stabilized Si2H2 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

doi:10.1021/jacs.6b07361

The Structure of the Carbene Stabilized Si₂H₂ 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

Research output: Contribution to journal › Article › peer-review

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Abstract

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.

Original language	English
Pages (from-to)	10429-10432
Number of pages	4
Journal	Journal of the American Chemical Society
Volume	138
Issue number	33
DOIs	https://doi.org/10.1021/jacs.6b07361
State	Published - 24 Aug 2016
Externally published	Yes

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title = "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:)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.",

author = "Chandrajeet Mohapatra and Subrata Kundu and Paesch, {Alexander N.} and Regine Herbst-Irmer and Dietmar Stalke and Andrada, {Diego M.} and Gernot Frenking and Roesky, {Herbert W.}",

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month = aug,

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doi = "10.1021/jacs.6b07361",

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AU - Mohapatra, Chandrajeet

AU - Kundu, Subrata

AU - Paesch, Alexander N.

AU - Herbst-Irmer, Regine

AU - Stalke, Dietmar

AU - Andrada, Diego M.

AU - Frenking, Gernot

AU - Roesky, Herbert W.

PY - 2016/8/24

Y1 - 2016/8/24

N2 - 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.

AB - 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.

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JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

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ER -

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

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