Syntheses and Molecular Structures of Liquid Pyrophoric Hydridosilanes.,ChemistryOpen

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Syntheses and Molecular Structures of Liquid Pyrophoric Hydridosilanes.
ChemistryOpen ( IF 2.5 ) Pub Date : 2020-07-27 , DOI: 10.1002/open.202000152
Maik Gerwig ₁ , Uwe Böhme ₁ , Mike Friebel ₁ , Franziska Gründler ₁ , Georg Franze ₁ , Marco Rosenkranz ₂ , Horst Schmidt ₁ , Edwin Kroke ₁

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Trisilane, isotetrasilane, neopentasilane, and cyclohexasilane have been prepared in gram scale. In‐situ cryo crystallization of these pyrophoric liquids in sealed capillaries on the diffractometer allows access to the single crystal structures of these compounds. Structural parameters are discussed and compared to gas‐phase electron diffraction structures from literature and with the results from quantum chemical calculations. Significantly higher packing indices are found for the silanes compared to the corresponding alkanes. Radiation with ultraviolet light (365 nm) and parallel ESR (EPR) measurement shows that cyclohexasilane is easily split into radicals, which subsequently leads to the formation of branched and chain‐like oligomers. The other compounds form no radicals under these conditions. NMR spectra of all four compounds have been recorded.

中文翻译：

液体发火氢化硅烷的合成和分子结构。

丙硅烷、异四硅烷、新戊硅烷和环己硅烷已以克级制备。这些自燃液体在衍射仪上的密封毛细管中进行原位冷冻结晶，可以了解这些化合物的单晶结构。讨论了结构参数，并将其与文献中的气相电子衍射结构以及量子化学计算的结果进行了比较。与相应的烷烃相比，硅烷的堆积指数明显更高。紫外光（365 nm）辐射和平行ESR（EPR）测量表明，环己硅烷很容易分裂成自由基，从而导致支化和链状低聚物的形成。其他化合物在这些条件下不形成自由基。所有四种化合物的核磁共振谱均已记录。

更新日期：2020-07-27

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