Molecular structure determination in powders by NMR crystallography from proton spin diffusion

The inability to determine molecular structures from powdered samples is a key barrier to progress in many areas of molecular and materials science. We report an approach to structure determination that combines molecular modeling with experimental spin diffusion data obtained from the high-resolution solid-state nuclear magnetic resonance of protons, and which allows the determination of the three-dimensional structure of an organic compound, in powder form and at natural isotopic abundance.


Published in:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 128, 29, 9555-9560
Year:
2006
Publisher:
AMER CHEMICAL SOC
ISSN:
0002-7863
Laboratories:




 Record created 2015-01-08, last modified 2018-09-13


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