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Title: Broadband cross-polarization-based heteronuclear dipolar recoupling for structural and dynamic NMR studies of rigid and soft solids

Dipolar recoupling is an essential part of current solid-state NMR methodology for probing atomic-resolution structure and dynamics in solids and soft matter. Recently described magic-echo amplitude- and phase-modulated cross-polarization heteronuclear recoupling strategy aims at efficient and robust recoupling in the entire range of coupling constants both in rigid and highly dynamic molecules. In the present study, the properties of this recoupling technique are investigated by theoretical analysis, spin-dynamics simulation, and experimentally. The resonance conditions and the efficiency of suppressing the rf field errors are examined and compared to those for other recoupling sequences based on similar principles. The experimental data obtained in a variety of rigid and soft solids illustrate the scope of the method and corroborate the results of analytical and numerical calculations. The technique benefits from the dipolar resolution over a wider range of coupling constants compared to that in other state-of-the-art methods and thus is advantageous in studies of complex solids with a broad range of dynamic processes and molecular mobility degrees.
Authors:
 [1] ;  [2] ;  [1] ;  [3]
  1. Department of Chemistry, Royal Institute of Technology KTH, Stockholm, SE 10044 (Sweden)
  2. Faculty of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation)
  3. (Russian Federation)
Publication Date:
OSTI Identifier:
22493660
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 144; Journal Issue: 3; Other Information: (c) 2016 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; ABSORPTION SPECTROSCOPY; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; COUPLING CONSTANTS; EFFICIENCY; ERRORS; MOBILITY; MOLECULES; NMR SPECTRA; NUCLEAR MAGNETIC RESONANCE; POLARIZATION; PROBES; SOLIDS; SPIN