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Calculation of the molecular ordering parameters of (±)-3-butyn-2-ol dissolved in an organic solution of poly(γ-benzyl-L-glutamate)

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Original languageEnglish
Pages (from-to)5719-5724
Number of pages6
JournalJournal of Physical Chemistry A
Issue number31
Publication statusPublished - 31 Jul 1997
Externally publishedYes
Publication typeA1 Journal article-refereed


The proton and natural abundance carbon-13 NMR spectra of (±)-3-butyn-2-ol enriched in the S enantiomer (ee = 72%) and oriented in the chiral nematic liquid crystalline phase of [poly(γ-benzyl-L-glutamate)/ deuterochloroform] have been obtained and analyzed. The residual 1H-1H and 1H-13C dipolar couplings were corrected for the effects of molecular harmonic vibrational motions and used to determine the ra structure and the five independent order parameters, Sαβ, for each enantiomer. It is shown that the data is consistent with the two enantiomers having an identical rα, structure, but the order matrices differ in both the magnitudes of their elements and the orientation of their principal axes.

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