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) |
|---|---|
| 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
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Cite this
Kye, Y. S., Zhao, X., & Harbison, G. S. (2005). Orientation of single crystals using linear approximations to NMR transits. Journal of Magnetic Resonance, 174(1), 54-59. https://doi.org/10.1016/j.jmr.2005.01.013