Time-domain calculation of chemical exchange effects in the NMR spectra of rotating solids.
A simple method is described for the calculation of magic-angle-spinning (MAS) spectra of solids in the presence of chemical exchange. The method converges quickly, allowing rapid calculation of the spectra. Calculated spectra are given for molecular motion involving 2 and 6 sites.
Duer
M J
MJ
Department of Chemistry, University of Cambridge, UK.
Levitt
M H
MH
D002244:Carbon / Q000737:chemistry; D002247:Carbon Isotopes; D003460:Crystallization; D004121:Dimethyl Sulfoxide; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D015394:Molecular Structure; D013450:Sulfones / Q000737:chemistry
D002247:Carbon Isotopes; D013450:Sulfones; D002244:Carbon; C025910:dimethyl sulfone; D004121:Dimethyl Sulfoxide