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

CrystEngComm Pub Date: 2016-06-16 DOI: 10.1039/C6CE01206J

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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