气相中的硅三醇：单个分子与氢键二聚体。
Silanetriols in the gas phase: single molecules vs. hydrogen-bonded dimers.
机构信息
University of Bielefeld, Inorganic and Structural Chemistry, Germany.
出版信息
Dalton Trans. 2012 Apr 7;41(13):3630-2. doi: 10.1039/c1dt11740h. Epub 2011 Nov 17.
PMID:22089403
Abstract
The first gas phase structure of a silanetriol, tert-butylsilane-triol [(t)BuSi(OH)(3)], determined by gas electron diffraction (GED), is reported. Quantum chemical calculations have been performed to elucidate potential intermolecular interactions between silanetriol molecules in the gas phase. The results are set into contrast to solid state structures of (t)BuSi(OH)(3) and related compounds.
摘要
首次通过气相电子衍射（GED）确定了硅三醇的气相结构，叔丁基硅烷三醇[(t)BuSi(OH)(3)]。通过量子化学计算阐明了气相中硅三醇分子之间可能存在的分子间相互作用。研究结果与(t)BuSi(OH)(3)和相关化合物的固态结构进行了对比。
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