A multiple-quantum H-1 NMR study of conformational ...
|Title||A multiple-quantum H-1 NMR study of conformational biasing of biphenyl in a nematic liquid crystal|
|Author(s)||T. Chandrakumar, James M. Polson, E. E. Burnell|
|Journal||Journal of Magnetic Resonance Series A|
|Abstract||Multiple-quantum H-1 NMR spectroscopy was used to simplify the analysis of the complicated one-quantum spectrum of the 10-spin molecule biphenyl dissolved in a nematic solvent. An eight-quantum spectrum was analyzed to obtain estimates of all dipolar coupling constants and chemical shifts, which were used as a starting point to solve the one-quantum spectrum, The dipolar couplings from the one-quantum spectrum were used, in combination with those determined in a previous study using different liquid-crystal solvents, to obtain vibrationally corrected geometrical parameters and orientational order parameters, The effective internal rotational potential was found to be shifted slightly toward a more planar configuration relative to the gas-phase potential, with an equilibrium dihedral angle of 37 degrees. (C) 1996 Academic Press, Inc.|
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