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The molecular structure of tetrathiofulvalene-13C (TTF) from proton magnetic resonance studies using nematic solvents
Authors:TC Wong  EE Burnell  L Weiler
Institution:Department of Chemistry, Tufts University, Medford, Massachusetts 02155, USA;Department of Chemistry, University of British Columbia, Vancouver, Canada V6T 1W5
Abstract:The molecular structure of TTF dissolved in nematic liquid crystalline solvents has been determined from the proton magnetic resonance including couplings due to 13C in natural abundance. The molecule is puckered in a boat conformation with the SCHCHS planes making a dihedral angle of 13 ± 2° with the S2C  CS2 plane. The other structural parameters obtained are rCH = 1.085 ± 0.014 Å and the angel CCH = 123.7 ± 1.5°.
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