NMR Crystallography
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".
Deadline for manuscript submissions: closed (30 June 2019) | Viewed by 20390
Special Issue Editor
Interests: NMR of single crystals: interaction tensor determination; NMR of quadrupolar nuclei: methods and application; NMR of inorganic compounds: elucidation of structure and dynamics
Special Issue Information
Dear Colleagues,
The fact that Nuclear Magnetic Resonance (NMR) Spectroscopy is capable of supplying valuable information on structure and dynamics of solid materials has been realized since the very early days. In many instances, this NMR-derived information is complementary to that obtained from diffraction methods, but may well extend beyond it, as in applications to non-periodic systems, quantification of local disorder and dynamics, etc.
The term “NMR Crystallography” has been used to describe numerous approaches of NMR-aided structure determination, validation, and refinement. Progress in distance-measuring methodology via dipolar couplings, as well as in multi-dimensional correlation techniques, has made it possible to attempt structure determination solely based on NMR data. The combination of these NMR methods with quantum mechanical structure calculations, which in recent years became increasingly efficient and accurate, has led to a strong increase in publications on such de novo structure determinations by NMR, culminating in the establishment of a “Commission on NMR Crystallography and Related Methods” in the International Union of Crystallography in 2014.
The Special Issue on “NMR Crystallography” in the open access periodical Crystals is a great opportunity to inform a potentially wide audience about the possibilities and successes of this technique. To this end, we invite the submission of papers dealing with “NMR Crystallography” in its broadest sense, in the hope to cover as many aspects of this exciting application of NMR spectroscopy as possible.
Dr. Thomas Bräuniger
Guest Editor
Manuscript Submission Information
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Keywords
- Structure determination, validation and refinement by NMR crystallography
- Application of NMR crystallography to inorganic and molecular materials
- Structural information by combining NMR results with DFT calculations
- Characterization of dynamic processes in solids by NMR spectroscopy
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