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专门的结构测定方法，在欧盟只有DFG支持的核心设施GED@BI在比勒费尔德。这些核心设施背后的意图是建立全成本资助的研究基础设施。在此，我们请求支持将在GED@BI上实现的一个小型科学项目：通过气相电子衍射和其中一种原位生长晶体的x射线衍射确定两种氟醇的分子结构。氟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(CF3)（C5F10）和全氟环己醇HOC(F)（C5F10）的结构。初步的固态工作表明，与α - f原子之间存在短的分子内和分子间氢键，但也存在额外的分子间氢键。因此，这些是研究相位依赖性对这种结构的微妙影响的罕见情况。这是通过比较气态和固态结构来实现的。例如，我们预计C-F键会出现可探测到的减弱。

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.