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Classical and Quantum Molecular Dynamics in NMR Spectra pp 305–331Cite as

Rotational Tunneling in Stick NMR Spectra of Solids

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Abstract

In NMR spectroscopy of condensed phases, the space coordinates of the magnetic nuclei are generally treated classically and only the spin degrees of freedom are quantized. This approach can fail for atomic groupings of a periodic structure whose topomers differ by permuted labels of light nuclei such as protons or deuterons, and are separated by low energy barriers. The spectra of such systems can show apparent proton-proton or deuteron-deuteron couplings resulting from spin-space correlations of the nuclear space and spin degrees of freedom, imposed by the symmetrization postulate of quantum mechanics. In this chapter, the stick spectra of such systems will be considered.

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Change history

  • 06 February 2019

    In the original version of the book, belated corrections from author for Chapters 2–7, 9 and Appendix C have been incorporated. The correction book has been updated with the changes.

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Authors and Affiliations

  1. Institute of Organic Chemistry, Polish Academy of Sciences, Warsaw, Poland

    Sławomir Szymański

  2. Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw, Poland

    Piotr Bernatowicz

Authors
  1. Sławomir Szymański
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  2. Piotr Bernatowicz
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Correspondence to Sławomir Szymański .

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Szymański, S., Bernatowicz, P. (2018). Rotational Tunneling in Stick NMR Spectra of Solids. In: Classical and Quantum Molecular Dynamics in NMR Spectra. Springer, Cham. https://doi.org/10.1007/978-3-319-90781-9_7

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