Gas phase structure of Ruppert's reagent, CF3SiMe3.
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.
Klatte
Katrin
K
Institut für Physikalische und Theoretische Chemie, Universität Tübingen, 72076 Tübingen, Germany.
Christen
Dines
D
Merke
Ilona
I
Stahl
Wolfgang
W
Oberhammer
Heinz
H
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*
C523557:(trifluoromethyl)-trimethylsilane; D005740:Gases; D006845:Hydrocarbons, Fluorinated; D007202:Indicators and Reagents; D014297:Trimethylsilyl Compounds; D005461:Fluorine; D012825:Silicon