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.
Original language | English (US) |
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Pages (from-to) | 54-59 |
Number of pages | 6 |
Journal | Journal of Magnetic Resonance |
Volume | 174 |
Issue number | 1 |
DOIs | |
State | Published - May 2005 |
Keywords
- 87Sr
- Chenical shielding anistropy
- Perturbation theory
- Quadrupolar nucleus
- Single-crystal NMR
- Solid-state NMR
ASJC Scopus subject areas
- Biophysics
- Biochemistry
- Nuclear and High Energy Physics
- Condensed Matter Physics