title: Orientation of single crystals using linear approximations to NMR transits.
abstract: We have derived analytical expressions for determining the orientation of high-symmetry single crystals from line-crossings in a single rotation plot. We demonstrate the utility of the method using the strontium-87 resonance in strontium nitrate. Employing our new method, which we call orientation of single crystals using linear approximations to NMR transits (OSCULANT), in combination with fourth-order perturbation theory, we obtain a highly accurate value for the quadrupole coupling constant, and an estimate for the chemical shielding anisotropy.
authors.affiliation: Department of Chemistry, University of Nebraska at Lincoln, Lincoln, NE 68588-0304, USA.
authors.forename: Young-Sik
authors.initials: YS
authors.lastname: Kye
authors.forename: Xingang
authors.initials: X
authors.lastname: Zhao
authors.forename: Gerard S
authors.initials: GS
authors.lastname: Harbison
mesh_terms: D003460:Crystallization; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012815:Signal Processing, Computer-Assisted; D013324:Strontium / Q000737:chemistry*
chemical_list: D013324:Strontium