title: Gas phase structure of Ruppert's reagent, CF3SiMe3.
abstract: CF3SiMe3 (Ruppert's reagent) has been investigated by gas phase electron diffraction, microwave spectroscopy and quantum chemical methods, deriving structural parameters and the barrier height for the methyl torsion. The bond length of the Si-CF3 bond, 1.941(3) A, is the longest Si-C bond observed so far in the gas phase. The V3 barrier for the methyl group torsion (V3= 5.71 kJ/mol) is only slightly lower than barriers determined for other trimethylsilane compounds.
authors.affiliation: Institut für Physikalische und Theoretische Chemie, Universität Tübingen, 72076 Tübingen, Germany.
authors.forename: Katrin
authors.initials: K
authors.lastname: Klatte
authors.forename: Dines
authors.initials: D
authors.lastname: Christen
authors.forename: Ilona
authors.initials: I
authors.lastname: Merke
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Stahl
authors.forename: Heinz
authors.initials: H
authors.lastname: Oberhammer
mesh_terms: D005461:Fluorine / Q000737:chemistry; D005740:Gases; D006845:Hydrocarbons, Fluorinated / Q000737:chemistry*; D007202:Indicators and Reagents / Q000737:chemistry*; D008872:Microwaves; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory; D012825:Silicon / Q000737:chemistry; D013057:Spectrum Analysis; D014297:Trimethylsilyl Compounds / Q000737:chemistry*
chemical_list: C523557:(trifluoromethyl)-trimethylsilane; D005740:Gases; D006845:Hydrocarbons, Fluorinated; D007202:Indicators and Reagents; D014297:Trimethylsilyl Compounds; D005461:Fluorine; D012825:Silicon