手性Nematic Liquid Crystals中的分子间相互作用及非手性分子NMR光谱对映体的识别Ⅰ:刚性溶质
Molecular Interactions in Chiral Nematic Liquid Crystals and Enantiotopic Discrimination through the NMR Spectra of Achiral Molecules I: Rigid Solutes
摘要:
本文建立了一个用核磁共振波谱法区分前手性溶质在手性溶剂中对映异构体的分子理论。领先的秩张量的贡献,建议潜在的平均扭矩包括对称以及反对称的条款,相对于空间反演,这些导致一致的确定所有的前手性溶质对称性,其中对映异构体是可区分的NMR和优秀的定量协议时,测试对现有的实验数据的刚性溶质苊和适度灵活的乙醇。
英文摘要:
We have developed a molecular theory for the enantiotopic discrimination in prochiral solutes dissolved in chiral nematic solvents by means of NMR spectroscopy. The leading rank tensor contributions to the proposed potential of mean torque include symmetric as well as antisymmetric terms with respect to spatial inversion, these lead to a consistent determination of all the prochiral solute symmetries for which enantiotopes are distinguishable by NMR and also to excellent quantitative agreement when tested against the available experimental data for the rigid solute acenaphthene and for the moderately flexible ethanol.
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