Generalized biaxial shearing of MQMAS NMR spectra.
Two dimensional multiple quantum (MQ) MAS NMR experiments have become popular due to the wide applicability of this technique to structural questions in materials science, the abundance of half-integer spin nuclei in the periodic table, and the ease of implementation on typical solid state NMR instruments. In spite of the high-resolution theoretically possible from such experiments, the homogeneous and inhomogeneous broadening factors inherent in many samples of interest can make spectral analysis challenging. We present several possible spectral shearing schemes that may be useful for spectral analysis, and in particular we introduce shearing in the directly detected dimension. We suggest that for amorphous or disordered samples that give broad spectral features, shearing may be used as a general tool for optimal positioning of these features relative to one another and for the characterization of isotropic chemical and quadrupolar shifts.
Gehman
John D
JD
School of Chemistry and Bio21 Institute, University of Melbourne, 30 Flemington Rd., Vic. 3010, Australia. jgehman@unimelb.edu.au
Provis
John L
JL
D000465:Algorithms; D016880:Anisotropy; D003198:Computer Simulation; D004574:Electromagnetic Fields; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*