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Issue 28, 2016
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The role of solid-state nuclear magnetic resonance in crystal engineering

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Abstract

An overview of the role of solid-state nuclear magnetic resonance (SSNMR) spectroscopy in the field of crystal engineering is provided. NMR methodologies often provide insights into the structure and dynamics of solid materials which would otherwise be unavailable by X-ray diffraction. More generally, NMR crystallographic structure solutions or refinement approaches seek to incorporate available data from all sources, including the results of density functional theory calculations and diffraction data. This Highlight article discusses the state of the field through a recapitulation of relevant theory and selected applications from the literature. Specific topics covered include NMR structure refinement, polymorph identification and differentiation, non-covalent interactions, and the role of dynamics.

Graphical abstract: The role of solid-state nuclear magnetic resonance in crystal engineering

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Publication details

The article was received on 24 May 2016, accepted on 16 Jun 2016 and first published on 16 Jun 2016


Article type: Highlight
DOI: 10.1039/C6CE01206J
Author version available: Download Author version (PDF)
Citation: CrystEngComm, 2016,18, 5236-5252
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    The role of solid-state nuclear magnetic resonance in crystal engineering

    Y. Xu, S. A. Southern, P. M. J. Szell and D. L. Bryce, CrystEngComm, 2016, 18, 5236
    DOI: 10.1039/C6CE01206J

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