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Effects of Isotopic Substitution and Temperature on Nuclear Magnetic Shielding

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Nuclear Magnetic Shieldings and Molecular Structure

Part of the book series: NATO ASI Series ((ASIC,volume 386))

Abstract

The effects of isotopic substitution and temperature on nuclear magnetic shielding are related to the intermolecular shielding surface and the intermolecular shielding function which determine them. The pair interaction model is examined in some detail. An improved expression for the electric field contribution is presented as is an up-to-date table of ab initio values of the electric field coefficients (the shielding polarizabilities and hyperpolarizabilities). Calculations of the temperature dependences of the second shielding virial coefficients of the proton and carbon-13 shielding in methane confirm that existing theory is inadequate. The theory of isotope effects and temperature on nuclear shielding at zero density is presented and some recent work is briefly discussed.

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Author information

Authors and Affiliations

  1. Dept. of Chemistry, The University of Sheffield, Sheffield, S3 7HF, UK

    W. T. Raynes

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  1. W. T. Raynes
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Editors and Affiliations

  1. Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, USA

    J. A. Tossell

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© 1993 Springer Science+Business Media Dordrecht

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Raynes, W.T. (1993). Effects of Isotopic Substitution and Temperature on Nuclear Magnetic Shielding. In: Tossell, J.A. (eds) Nuclear Magnetic Shieldings and Molecular Structure. NATO ASI Series, vol 386. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-1652-7_21

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  • DOI: https://doi.org/10.1007/978-94-011-1652-7_21

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-4722-7

  • Online ISBN: 978-94-011-1652-7

  • eBook Packages: Springer Book Archive

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