Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride

One and a half decades ago the formation of Si2Cl4 from the intermediate species SiCl2 was theoretically predicted to be exothermic. The hypothetical Si2Cl4 has never been experimentally synthesized and isolated. Herein, we report that the Si2Cl4 species was stabilized as singlet biradical (Cy-cAAC·...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2014-07, Vol.136 (27), p.9568-9571
Main Authors: Mondal, Kartik Chandra, Dittrich, Birger, Maity, Bholanath, Koley, Debasis, Roesky, Herbert W
Format: Article
Language:English
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Summary:One and a half decades ago the formation of Si2Cl4 from the intermediate species SiCl2 was theoretically predicted to be exothermic. The hypothetical Si2Cl4 has never been experimentally synthesized and isolated. Herein, we report that the Si2Cl4 species was stabilized as singlet biradical (Cy-cAAC·)2Si2Cl4 utilizing two cAAC (cyclic alkyl(amino) carbene). This compound is stable, isolable, and storable at rt under an inert atmosphere. The electronic structure and bonding were studied by theoretical calculations which revealed that the molecule possesses a singlet biradical ground state with an unpaired electron on each carbene C atom having opposite spin.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja505817u