Orientation of single crystals using linear approximations to NMR transits

Young Sik Kye, Xingang Zhao, Gerard S. Harbison

Research output: Contribution to journalArticle

5 Citations (Scopus)

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 1 2005

Fingerprint

transit
strontium 87
Crystal orientation
Nuclear magnetic resonance
Single crystals
nuclear magnetic resonance
Strontium
single crystals
Anisotropy
Crystal symmetry
approximation
strontium
Shielding
shielding
nitrates
perturbation theory
quadrupoles
plots
anisotropy
symmetry

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

Cite this

Orientation of single crystals using linear approximations to NMR transits. / Kye, Young Sik; Zhao, Xingang; Harbison, Gerard S.

In: Journal of Magnetic Resonance, Vol. 174, No. 1, 01.05.2005, p. 54-59.

Research output: Contribution to journalArticle

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AB - 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.

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