Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride,Journal of the American Chemical Society

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Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2014-06-26 , DOI: 10.1021/ja505817u
Kartik Chandra Mondal ₁ , Birger Dittrich ₂ , Bholanath Maity ₃ , Debasis Koley ₃ , Herbert W. Roesky ₁

Affiliation

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.

中文翻译：

环状烷基（氨基）卡宾稳定的四氯化二硅双自由基

十年半前，从理论上预测由中间体 SiCl2 形成的 Si2Cl4 是放热的。从未通过实验合成和分离出假设的 Si2Cl4。在此，我们报告利用两个 cAAC（环状烷基（氨基）卡宾）将 Si2Cl4 物质稳定为单线态双自由基 (Cy-cAAC·)2Si2Cl4。该化合物在惰性气氛下在室温下是稳定的、可分离的和可储存的。通过理论计算研究了电子结构和键合，结果表明该分子具有单线态双自由基基态，每个碳烯 C 原子上都有一个不成对的电子，自旋相反。

更新日期：2014-06-26

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