The statistical principle of maximum entropy is applied to the analysis of dipolar couplings from 1H NMR of nonrigid molecules dissolved in liquid-crystalline phases. A distribution function for the orientational and inter-ring angles is so obtained. The most probable internal angle φ is determined for 4,4′-dichlorobiphenyl (φ=34°) in the nematic phase of I52, 4-pentyl-4′-cyanobiphenyl (φ=32°) and 4′-Br-4-Cl-2,6-difluorobiphenyl (φ=42°) in EBBA. The physical reliability of the distributions determined is discussed. The maximum-entropy treatment seems to indicate a limit for the information on the internal motion obtainable from the experimental data.
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Catalano et al. (1991) studied this question.
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