Dipolar coupling study of the conformations and ordering of 4-chloroethoxybenzene in a nematic solvent |
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Authors: | A F Terzis D J Photinos |
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Institution: |
a Department of Physics, University of Patras, Patras, Greece |
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Abstract: | The observed dipolar couplings of 4-chloroethoxybenzene in a nematic solvent are used to study the internal rotations about the O-C(H2) bond. Accurate theoretical reproductions of these couplings are obtained using the standard three state (trans, gauche±) rotational isomer model with gauche rotation angle φg = 96° and the trans—gauche energy difference Etg, = 5·52kJ mol-1. The probabilities and ordering matrix components of the trans and gauche forms are calculated. |
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