Distribution effects on 1H double-quantum MAS NMR spectra

G. P. Holland, B. R. Cherry, T. M. Alam

Research output: Contribution to journalArticle

17 Scopus citations

Abstract

The effect of a distribution in the 1H-1H dipolar coupling on 1H double-quantum (DQ) magic angle spinning (MAS) nuclear magnetic resonance (NMR) spinning sideband patterns is considered. In disordered or amorphous materials a distribution in the magnitude of the 1H-1H dipolar coupling is a realistic possibility. Simulations of the 1H DQ MAS NMR spinning sideband spectra were performed with the two-spin approximation. These simulations reveal that a dipolar coupling distribution can greatly affect the DQ spectral shape and behavior of the DQ build-up. The spectral line shapes are quantified by measurement of the relative intensities of the DQ sidebands. These variations in the 1H DQ NMR spectra are evaluated as a function of the width of the dipolar coupling distribution. As an example, the experimental DQ spinning sideband spectrum for a hydrated polyoxoniobate containing 15 H2O molecules per hexaniobate cluster, are better simulated with a distribution of dipolar couplings opposed to a single coupling constant.

Original languageEnglish (US)
Pages (from-to)161-167
Number of pages7
JournalJournal of Magnetic Resonance
Volume167
Issue number1
DOIs
StatePublished - Mar 1 2004

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Keywords

  • NMR H DQ MAS distribution

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry
  • Nuclear and High Energy Physics
  • Condensed Matter Physics

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