Orientation of single crystals using linear approximations to NMR transits.
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.
Kye
Young-Sik
YS
Department of Chemistry, University of Nebraska at Lincoln, Lincoln, NE 68588-0304, USA.
Zhao
Xingang
X
Harbison
Gerard S
GS
D003460:Crystallization; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012815:Signal Processing, Computer-Assisted; D013324:Strontium / Q000737:chemistry*
D013324:Strontium