title: Combining dipolar-quadrupolar correlation spectroscopy with isotropic shift resolution in magic-angle-spinning 17O NMR.
abstract: We explore the effect of heteronuclear dipolar recoupling on the satellite and multiple-quantum transitions of a half-integer-spin quadrupolar nucleus coupled to a single spin-12. A three-dimensional experiment is introduced that resolves different quadrupolar sites whilst allowing simultaneous extraction of the quadrupolar coupling constants, asymmetry parameters of the electric field gradient, and the isotropic shifts of the quadrupolar nucleus. The experiment also enables estimation of the heteronuclear dipolar coupling constant between the spin-1/2 and half-integer spin quadrupolar nucleus. The relative orientation of the dipolar tensor with respect to the quadrupolar tensor can be estimated by comparing experiments and simulations. Experimental results are shown on a sample of brucite, Mg((17)OH)(2), where the (1)H-(17)O bond distance is estimated.
authors.affiliation: Department of Chemical Sciences, Tata Institute of Fundamental Research, Homi Bhabha Road, Colaba, Mumbai 400 005, India.
authors.forename: M
authors.initials: M
authors.lastname: Goswami
authors.forename: P K
authors.initials: PK
authors.lastname: Madhu
mesh_terms: D016880:Anisotropy; D008276:Magnesium Hydroxide / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D010103:Oxygen Isotopes / Q000032:analysis / Q000737:chemistry; D013113:Spin Labels
chemical_list: D010103:Oxygen Isotopes; D013113:Spin Labels; D008276:Magnesium Hydroxide