Archive for October, 2016

Molecular Interactions in Chiral Nematic Liquid Crystals and Enantiotopic Discrimination through the NMR Spectra of Prochiral Molecules I: Rigid Solutes

October 13th, 2016 Comments off

Anant Kumar, Alexandros G. Vanakaras and Demetri J. Photinos, J. Phys. Chem. B, Article ASAP DOI: 10.1021/acs.jpcb.6b07404

ABSTRACT: We have developed a molecular theory for 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 consistent determination of all 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 solutes acenaphthene and norbornene as well as for the moderately flexible ethanol molecule.

Categories: 2016, A. G. Vanakaras, D.J. Photinos, Paper Tags: