Multiple quantum nuclear magnetic resonance spectra of partially oriented styrene in a nematic phase |
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Authors: | SAADALLAH A RAMADAN LESLIE D FIELD GREGORY K PIERENS |
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Institution: | 1. School of Chemistry, University of Sydney , New South Wales, 2006, Australia;2. Astra Zeneca R &3. D, Griffith University , Kessels Road Nathan, Brisbane, Queensland, 4111, Australia |
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Abstract: | Proton multiple-quantum nuclear magnetic resonance (MQNMR) spectra of styrene partially oriented in a nematic liquid crystal were acquired using the magnetic field gradient method. Six-, seven- and eight-quantum spectra were iteratively solved to yield all intramolecular dipolar couplings (Dij) which were used to determine the molecular shape of styrene. The dipolar couplings were fitted to a model averaging between four equivalent non-planar conformations of the molecule. Ignoring vibrational corrections, the analysis was consistent with a non-planar molecular geometry with a dihedral angle of approximately 16 degrees between the olefinic fragment and the aromatic ring. |
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