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Quantum Molecular Dynamics in Liquid-Phase Stick NMR Spectra

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Abstract

An account of the manifestations of the symmetrization postulate in liquid-phase spectra is given. Special attention is devoted to its consequences for transition metal polyhydride complexes in solution, for which anomalously large, apparent proton–proton couplings were reported. They were once recognized, not without astonishment, to be of the same origin as the rotational tunneling effects in solids. The representative experimental material will be discussed, and the question of the effective spin Hamiltonian will be readdressed. Finally, residual rotational tunneling effects observed in solution in strongly hindered methyl groups will be commented upon.

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Further Reading

  1. H.-H. Limbach in Hydrogen-Transfer Reactions, vol. 1, ed. by J.T. Hynes, J.P. Klinman, H.-H. Limbach, R.L. Schowen (Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2007)

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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

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  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). Quantum Molecular Dynamics in Liquid-Phase Stick NMR Spectra. In: Classical and Quantum Molecular Dynamics in NMR Spectra. Springer, Cham. https://doi.org/10.1007/978-3-319-90781-9_8

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