A simple theoretical treatment of quadrupolar effects on magic-angle-spinning solid-state NMR spectra of spin-1/2 nuclei in the limit of large quadrupole coupling constants.
A simple approach is discussed for studying the effect of quadrupolar nuclei on the magic-angle-spinning solid-state NMR lines of spin-1/2 nuclei in the limit of large quadrupole coupling constants. Equations are derived both for the isotropic shifts and the Pake-like powder patterns for any quadrupolar spin and for arbitrary orientations of the internuclear vector with respect to the unique axis of an axially symmetric quadrupole tensor. First-order effects due to a small Zeeman perturbation on these lines are explored, as well as deviations from axial symmetry in the electric field gradient when S = 3/2 quadrupolar nuclei are involved. Spectral parameters likely to be observed in the case of coupling between 31P and 201Hg are also discussed.
Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Rosario, Argentina.
A C
AC
Olivieri
D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008628:Mercury / Q000737:chemistry; D008629:Mercury Isotopes; D008956:Models, Chemical; D008962:Models, Theoretical; D015394:Molecular Structure; D010758:Phosphorus / Q000737:chemistry
D008629:Mercury Isotopes; D010758:Phosphorus; D008628:Mercury