Powder crystallography by proton solid-state NMR spectroscopy

The investigation of H-1-H-1 spin-diffusion build-up curves using a rate matrix analysis approach shows that high-resolution magic angle spinning NMR of protons, applied to powdered organic compounds, provides a method to probe crystalline arrangements. The comparison between experimental H-1 data and simulation is shown to depend strongly on the parameters of the crystal structure, for example on the unit cell parameters or the orientation of the molecule in the unit cell, and those parameters are experimentally determined for a model organic compound.


Published in:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127, 25, 9140-9146
Year:
2005
Publisher:
AMER CHEMICAL SOC
ISSN:
0002-7863
Laboratories:




 Record created 2015-01-08, last modified 2018-01-28


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