Structure Determination of Perfluoro-1-methylcyclohexanol, HOC(CF3)(C5F10), and Perfluorocyclohexanol, HOC(F)(C5F10), in the Solid and Gaseous Phases

气体电子衍射是一种用于结构测定的专门方法，在欧盟仅在比勒费尔德的DFG支持的核心设施GED@BI中可用。这些核心设施的目的是建立全额资助的研究基础设施。在这里，我们要求支持一个小的科学项目将在GED@BI实现：通过气相电子衍射和其中一个原位生长晶体的X射线衍射确定两种氟代醇的分子结构。氟代醇是设计新型弱配位阴离子的重要组成部分。我们想要阐明全氟-1-甲基环己醇HOC（CF 3）（C5 F10）和全氟环己醇HOC（F）（C5 F10）的结构。初步的固态工作表明短的内和分子间氢键的α-F原子，但也额外的分子间氢键。因此，这些是研究相位依赖性对此类结构的微妙影响的罕见案例。这是通过比较气体和固态结构来完成的。例如，我们预期C-F键的可检测的弱化。

Gas electron diffraction is a specialized method for structure determination and available in the European Union only in the DFG supported core facility GED@BI in Bielefeld. The intention behind such core facilities is to establish full-cost financed research infrastructure. Here we ask for support of a small scientific project to be realized at GED@BI: the determination of the molecular structures of two fluoroalcohols by gas-phase electron diffraction and by X-ray diffraction of in-situ grown crystals of one of them. Fluoroalcohols are important components in the design of new weakly coordinating anions. We want to elucidate the structures of perfluoro-1-methylcyclohexanol, HOC(CF3)(C5F10), and perfluorocyclohexanol, HOC(F)(C5F10). Preliminary solid state work indicated short intra- and inter-molecular H-bonding to the alpha-F atom, but also additional intermolecular H bonds. Thus, these are rare cases for the study of the delicate influence of the phase-dependence on such structures. This is done by comparison of gas and solid state structures. For instance we expect a detectable weakening of the C-F bond.