title: Quadrupole interactions: NMR, NQR, and in between from a single viewpoint.
abstract: Nuclear spins with quantum numbers >1/2 can interact with a static magnetic field, or a local electric field gradient, to produce quantized energy levels. If the magnetic field interaction dominates, we are doing nuclear magnetic resonance (NMR). If the interaction of the nuclear electric quadrupole with electric field gradients is much stronger, this is nuclear quadrupole resonance (NQR). The two are extremes of a continuum, as the ratio of one interaction to the other changes. In this work, we look at this continuum from a single, unified viewpoint based on a Liouville-space approach: the direct method. This method does not require explicit operators and their commutators, unlike Hamiltonian methods. We derive both the quadrupole-perturbed NMR solution and also the Zeeman-perturbed NQR results. Furthermore, we examine the polarization of these signals, because this is different between pure NMR and pure NQR spectroscopy. Spin 3/2 is the focus here, but the approach is perfectly general and can be applied to any spin. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: Department of Chemistry and Chemical Biology, McMaster University, 1280 Main St. West, Hamilton, Ontario, L8S 4M1, Canada.
authors.forename: Alex D
authors.initials: AD
authors.lastname: Bain
keywords: Liouvillian; NMR; NQR; direct method; perturbation theory; quadrupolar interaction; spherical tensors