title: Powder crystallography by proton solid-state NMR spectroscopy.
abstract: The investigation of 1H-1H 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 1H 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.
authors.affiliation: Laboratoire de Chimie (UMR 5182 CNRS/ENS), Ecole Normale Supérieure de Lyon, 69364 Lyon, France.
authors.forename: Bénédicte
authors.initials: B
authors.lastname: Elena
authors.forename: Lyndon
authors.initials: L
authors.lastname: Emsley
mesh_terms: D003461:Crystallography; D018360:Crystallography, X-Ray; D004058:Diffusion; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D009930:Organic Chemicals / Q000737:chemistry*; D011208:Powders; D011522:Protons
chemical_list: D009930:Organic Chemicals; D011208:Powders; D011522:Protons