Orientation of single crystals using linear approximations to NMR transits

Young Sik Kye, Xingang Zhao, Gerard S. Harbison

Research output: Contribution to journalArticle

5 Scopus citations

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 languageEnglish (US)
Pages (from-to)54-59
Number of pages6
JournalJournal of Magnetic Resonance
Volume174
Issue number1
DOIs
StatePublished - 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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