A general strategy for obtaining 19F–19F and 13C–19F residual dipolar couplings in perfluorocarbons from the NMR spectroscopy of liquid crystalline samples

Literature Information

Publication Date 2010-06-01
DOI 10.1039/C002817G
Impact Factor 3.676
Authors

Giuseppina De Luca, James W. Emsley, Elodie Salager, Anne Lesage


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Abstract

A two-dimensional Fluorine Detected Local Field (FDLF) NMR experiment is demonstrated on a sample of perfluoropropyl iodide dissolved in the nematic solvent ZLI1132. In analogy to the proton detected local field (PDLF) technique, for each resolved site of the carbon spectrum, a simple map of the heteronuclear coupling network is obtained in the indirect dimension. A full analysis of the FDLF spectrum was achieved with the aid of two-dimensional 19F–13C HETCOR and 13C, D-resolved spectra (with D representing the anisotropic spin–spin coupling). A one-dimensional 19F spectrum was recorded on the same sample at intermediate resolution, and values of the residual spin–spin couplings TCF and TFF obtained from both experiments were combined and used to provide starting parameters for the analysis of a very high resolution 19F spectrum, including the weak satellite lines from single-13C isotopomers. The high-precision, residual, anisotropic couplings were used to explore whether they have an appreciable contribution from the anisotropic electron-mediated spin–spin couplings.

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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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