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ESR and NMR of Paramagnetic Species in Biological and Related Systems pp 55–87Cite as

Contact and Dipolar NMR Shifts: Theory and Applications

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Part of the book series: Nato Advanced Study Institutes Series ((ASIC,volume 52))

Abstract

The fundamental equations and basic qualitative ideas regarding paramagnetic nmr shifts are reviewed. Particular attention is paid to lanthanide systems. Including the problem of nonaxiality. Modes of metal-ligand spin transferrai are discussed as are theoretical models of spin-delocalization in ligands. The evaluation of dipolar nmr shifts from magnetic susceptibility anisotropy data is treated along with other methods for the separation of contact and dipolar contributions. The theoretical evaluation of magnetic anisotropy from ligand field models is considered with particular emphasis on low-spin d5 iron(III) hemin systems and on lanthanide ion complexes. Particular attention is paid to the theoretical and experimental aspects of the temperature dependencies. Mention is made of the use of lanthanide ions and cobalt(II) and substitutional or extrinsic shift probes for the study of biological macromolecules.

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Author information

Authors and Affiliations

  1. Department of Chemistry, 152 Davey Laboratory, The Pennsylvania State University, University Park, PA, 16802, USA

    William DeW. Horrocks Jr.

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  1. William DeW. Horrocks Jr.
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Editor information

Editors and Affiliations

  1. Istituto di Chimica Generale ed Inorganica della, Facoltà di Farmacia, Università di Firenze, Via Gino Capponi, 7 Firenze, Italy

    Ivano Bertini

  2. School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, USA

    Russell S. Drago

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© 1980 D. Reidel Publishing Company, Dordrecht, Holland

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Horrocks, W.D. (1980). Contact and Dipolar NMR Shifts: Theory and Applications. In: Bertini, I., Drago, R.S. (eds) ESR and NMR of Paramagnetic Species in Biological and Related Systems. Nato Advanced Study Institutes Series, vol 52. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9524-6_3

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  • DOI: https://doi.org/10.1007/978-94-009-9524-6_3

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-009-9526-0

  • Online ISBN: 978-94-009-9524-6

  • eBook Packages: Springer Book Archive

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