skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Population transfer HMQC for half-integer quadrupolar nuclei

Abstract

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

Citation Formats

Wang, Qiang, Xu, Jun, Feng, Ningdong, Deng, Feng, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr, Li, Yixuan, Unit of Catalysis and Chemistry of Solids, Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062, Trébosc, Julien, Lafon, Olivier, Hu, Bingwen, Chen, Qun, Amoureux, Jean-Paul, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr, and Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062. Population transfer HMQC for half-integer quadrupolar nuclei. United States: N. p., 2015. Web. doi:10.1063/1.4913683.
Wang, Qiang, Xu, Jun, Feng, Ningdong, Deng, Feng, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr, Li, Yixuan, Unit of Catalysis and Chemistry of Solids, Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062, Trébosc, Julien, Lafon, Olivier, Hu, Bingwen, Chen, Qun, Amoureux, Jean-Paul, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr, & Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062. Population transfer HMQC for half-integer quadrupolar nuclei. United States. doi:10.1063/1.4913683.
Wang, Qiang, Xu, Jun, Feng, Ningdong, Deng, Feng, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr, Li, Yixuan, Unit of Catalysis and Chemistry of Solids, Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062, Trébosc, Julien, Lafon, Olivier, Hu, Bingwen, Chen, Qun, Amoureux, Jean-Paul, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr, and Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062. Sat . "Population transfer HMQC for half-integer quadrupolar nuclei". United States. doi:10.1063/1.4913683.
@article{osti_22416214,
title = {Population transfer HMQC for half-integer quadrupolar nuclei},
author = {Wang, Qiang and Xu, Jun and Feng, Ningdong and Deng, Feng, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr and Li, Yixuan and Unit of Catalysis and Chemistry of Solids and Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062 and Trébosc, Julien and Lafon, Olivier and Hu, Bingwen and Chen, Qun and Amoureux, Jean-Paul, E-mail: dengf@wipm.ac.cn, E-mail: jean-paul.amoureux@univ-lille1.fr and Physics Department and Shanghai Key Laboratory of Magnetic Resonance, East China Normal University, Shanghai 200062},
abstractNote = {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.},
doi = {10.1063/1.4913683},
journal = {Journal of Chemical Physics},
number = 9,
volume = 142,
place = {United States},
year = {Sat Mar 07 00:00:00 EST 2015},
month = {Sat Mar 07 00:00:00 EST 2015}
}