Genre
- Journal Article
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.
UNIV BRITISH COLUMBIA,DEPT PHYS,VANCOUVER,BC V6T 1Z1,CANADA.; Chandrakumar, T, UNIV BRITISH COLUMBIA,DEPT CHEM,2036 MAIN MALL,VANCOUVER,BC V6T 1Z1,CANADA.
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ACADEMIC PRESS INC JNL-COMP SUBSCRIPTIONS
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Source type: Electronic(1)
Language
- English
Subjects
- INTERNAL-ROTATION
- GASEOUS
- Physics, Atomic, Molecular & Chemical
- PERDEUTERATED BIPHENYL
- MIXTURES
- DERIVATIVES
- SPECTROSCOPY
- STATE
- BARRIER
- spectra
- SOLVENTS
- MOLECULAR-STRUCTURE