Modern NMR Crystallography

NMR crystallography has blossomed as a focussed field of research in recent years and is now acknowledged as such by the International Union of Crystallography. The term ‘NMR crystallography’ itself has proven to be inclusive of many NMR-centric approaches which seek to solve or refine crystal structures. Since the publication of a seminal book over ten years ago, there have been numerous advances in experimental methodology, in computational tools, and in the fruitful combination of these to provide new insights into structure and dynamics in a range of solid materials.

This book presents insightful contributions describing these advances as well as a broad range of cutting-edge applications to small molecules, pharmaceuticals, biomolecules, energy materials, and more. It highlights the complementarity of NMR, diffraction, and computational approaches and presents several examples where complete structure solutions are only possible via this synergy.

Striking a balance between appealing to NMR experts and those outside the field, it will appeal to practitioners of diffraction-based crystallography and computational and theoretical chemists.

David L. Bryce is Full Professor and University Research Chair in Nuclear Magnetic Resonance at the University of Ottawa. He is past Chair of the Department of Chemistry and Biomolecular Sciences, a Fellow of the Royal Society of Chemistry (UK), and an elected Fellow of the Royal Society of Canada. His current research interests include solid-state NMR of low-frequency quadrupolar nuclei, NMR studies of materials, NMR crystallography, halogen bonding, mechanochemistry, and quantum chemical interpretation of NMR interaction tensors. He is the author of approximately 185 scientific publications and co-author of one book. His group has authored NMR software products downloaded more than 500 times in 25 countries. He is the Editor-in-Chief of Solid State Nuclear Magnetic Resonance and Section Editor (Magnetic Resonance and Molecular Spectroscopy) for the Canadian Journal of Chemistry. From 2006-2020, he served as the Chair of Canada’s National Ultrahigh-Field NMR Facility for Solids.