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The Protonation of CF 3 SO 3 H: Preparation and Characterization of Trifluoromethyldihydroxyoxosulfonium Hexafluoridoantimonate, CF 3 SO 3 H 2 + SbF 6 –
Author(s) -
Soltner Theresa,
Goetz Nadine R.,
Kornath Andreas
Publication year - 2011
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201001339
Subject(s) - chemistry , protonation , triclinic crystal system , crystallography , x ray crystallography , infrared spectroscopy , hydrogen bond , crystal structure , stereochemistry , molecule , ion , diffraction , organic chemistry , physics , optics
Trifluoromethanesulfonic anhydride reacts with superacidic solutions AF/SbF 5 (A = H, D) to form their corresponding salts CF 3 SO 3 A 2 + SbF 6 – , which are protonated forms of trifluoromethanesulfonic acid and CF 3 SO 2 F as by‐product. The salts have been characterized by vibrational spectroscopy and single‐crystal structural analysis. CF 3 SO 3 H 2 + SbF 6 – crystallizes in the triclinic space group P $\bar {1}$ with two formula units in the unit cell: a = 709.29(5) pm, b = 763.46(5) pm, c = 882.15(6) pm; α = 71.884(6)°, β = 72.488(6)°, γ = 84.509(6)°; V = 432.97(5) Å 3 . The cations are linked with two strong hydrogen bonds to SbF 6 – anions to form chains. The experimental data were also compared to quantum chemical calculations for the CF 3 SO 3 H 2 (HF) 2 + cation.