Institut für Anorganische Chemie, Georg-August-Universität , Tammannstraße 4, 37077 Göttingen, Germany.
J Am Chem Soc. 2014 Jul 9;136(27):9568-71. doi: 10.1021/ja505817u. Epub 2014 Jun 26.
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.
十五年前，理论上预测 Si2Cl4 是由中间体 SiCl2 形成的，其形成过程是放热的。这种假设的 Si2Cl4 从未在实验中被合成和分离出来。在此，我们报告说，Si2Cl4 物种被稳定为单重态双自由基（Cy-cAAC·）2Si2Cl4，利用了两个 cAAC（环状烷基（氨基）卡宾）。该化合物在惰性气氛下于室温下稳定、可分离和储存。通过理论计算研究了其电子结构和键合，结果表明该分子具有单重态双自由基的基态，每个卡宾 C 原子上都有一个未配对的电子，自旋相反。
