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

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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.