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Title: Population transfer HMQC for half-integer quadrupolar nuclei

This work presents a detailed analysis of a recently proposed nuclear magnetic resonance method [Wang et al., Chem. Commun. 49(59), 6653-6655 (2013)] for accelerating heteronuclear coherence transfers involving half-integer spin quadrupolar nuclei by manipulating their satellite transitions. This method, called Population Transfer Heteronuclear Multiple Quantum Correlation (PT-HMQC), is investigated in details by combining theoretical analyses, numerical simulations, and experimental investigations. We find that compared to instant inversion or instant saturation, continuous saturation is the most practical strategy to accelerate coherence transfers on half-integer quadrupolar nuclei. We further demonstrate that this strategy is efficient to enhance the sensitivity of J-mediated heteronuclear correlation experiments between two half-integer quadrupolar isotopes (e.g., {sup 27}Al-{sup 17}O). In this case, the build-up is strongly affected by relaxation for small T{sub 2}′ and J coupling values, and shortening the mixing time makes a huge signal enhancement. Moreover, this concept of population transfer can also be applied to dipolar-mediated HMQC experiments. Indeed, on the AlPO{sub 4}-14 sample, one still observes experimentally a 2-fold shortening of the optimum mixing time albeit with no significant signal gain in the {sup 31}P-({sup 27}Al) experiments.
Authors:
; ; ;  [1] ;  [1] ;  [2] ;  [3] ; ;  [4] ; ;  [5] ;  [4] ;  [3]
  1. National Center for Magnetic Resonance in Wuhan, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China)
  2. (UCCS), CNRS UMR-8181, University of Lille, 59652 Villeneuve d’Ascq (France)
  3. (China)
  4. Unit of Catalysis and Chemistry of Solids (UCCS), CNRS UMR-8181, University of Lille, 59652 Villeneuve d’Ascq (France)
  5. Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062 (China)
Publication Date:
OSTI Identifier:
22416214
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 9; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ALUMINIUM 27; ALUMINIUM PHOSPHATES; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; CORRELATIONS; COUPLING; GAIN; MIXING; NUCLEAR MAGNETIC RESONANCE; OXYGEN 17; PHOSPHORUS 31; RELAXATION; SENSITIVITY; SPIN