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Content archived on 2022-12-23

New approaches to the study of 1H-1H, 13C-1H and 13C-13C nuclear coupling constant surfaces : isotope effects, temperature dependencies, rotational-vibrational averaging effects and ab initio calculations on small and medium-sized organic m

Objective



This research project aims to reach new levels of detail in the experimental and theoretical understanding of the NMR parameters, especially spin-spin coupling constants of several small and medium-sized molecules and, in the process, to develop new and improved methods in NMR spectral analysis and theoretical calculation which will prove to be of wide application.

Of particular interest are proton and carbon shielding and proton-proton, carbon-proton and carbon-carbon coupling constants. An experimental study of these parameters will be carried out in ethane, ethane and ethyne and, in some other organic compounds as functions of isotopic substitution, temperature and density. The oxygen-proton coupling in water will also be investigated. Ab initio calculations of the above parameters will also be carried out to assist in the interpretation of the spectra as well as to provide an independent study of isotope effects and temperature variations.

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Programme(s)

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Topic(s)

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Call for proposal

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Funding Scheme

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Coordinator

University of Sheffield
EU contribution
No data
Address
Western Bank
S3 7HF Sheffield
United Kingdom

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Total cost

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Participants (4)

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