The orientational order and conformational distributions of the two enantiomers in a racemic mixture of a chiral, flexible molecule dissolved in a chiral nematic liquid crystalline solvent

Literature Information

Publication Date 2004-01-06
DOI 10.1039/B312512B
Impact Factor 3.676
Authors

James W. Emsley, Philippe Lesot, Denis Merlet


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Abstract

The orientational order and conformational distributions of the two enantiomers of (±)-α-ethylhexanoic acid-d15, a flexible chiral molecule, dissolved in a chiral nematic liquid crystalline solvent made of PBLG in an organic co-solvent are obtained by analysis of NMR data. The anisotropic, NMR parameters are obtained from the separated analysis of the two enantiomers using carbon–deuterium, deuterium–deuterium 2D correlation experiments and proton-coupled carbon-13 1D experiments. The analysis of conformational distributions, and the conformationally dependent orientational order parameters are derived using the additive potential, AP, model.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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