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Deuterium MAS NMR studies of dynamics on multiple timescales: histidine and oxalic acid

Research output: Contribution to journalJournal articlepeer-review

Published
  • Monique Chan-Huot
  • Stephen Wimperis
  • Christel Gervais
  • Geoffrey Bodenhausen
  • Luminita Duma
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<mark>Journal publication date</mark>12/01/2015
<mark>Journal</mark>ChemPhysChem
Issue number1
Volume16
Number of pages12
Pages (from-to)204-215
Publication StatusPublished
Early online date30/10/14
<mark>Original language</mark>English

Abstract

Deuterium (H-2) magic-angle spinning (MAS) nuclear magnetic resonance is applied to monitor the dynamics of the exchanging labile deuterons of polycrystalline L-histidine hydrochloride monohydrate-d(7) and -oxalic acid dihydrate-d(6). Direct experimental evidence of fast dynamics is obtained from T-1Z and T-1Q measurements. Further motional information is extracted from two-dimensional single-quantum (SQ) and double-quantum (DQ) MAS spectra. Differences between the SQ and DQ linewidths clearly indicate the presence of motions on intermediate timescales for the carboxylic moiety and the D2O in -oxalic acid dihydrate, and for the amine group and the D2O in L-histidine hydrochloride monohydrate. Comparison of the relaxation rate constants of Zeeman and quadrupolar order with the relaxation rate constants of the DQ coherences suggests the co-existence of fast and slow motional processes.