Use of two-dimensional correlation between 2H quadrupolar splittings and 13C CSA's for assignment of NMR spectra in chiral nematics
Literature Information
Olivier Lafon, Philippe Berdagué, Philippe Lesot
The possibility of correlating visible spectral enantiodiscriminations in a single 2D map using simultaneously both quadrupolar and dipolar nuclei is presented and experimentally demonstrated. The method uses deuterium–carbon-13 heteronuclear 2D experiments with 13C in natural abundance applied to deuterated compounds oriented in chiral, nematic liquid crystals (PBLG/CHCl3). Illustrative examples involving chiral and prochiral solute molecules are analysed and discussed. We show that this approach provides an efficient and elegant way to assign deuterium resonances for each enantiomer or enantiotopic directions in prochiral molecules.
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Physical Chemistry Chemical Physics

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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