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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus


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2196-7156
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Volume 231, Issue 3

Issues

Exciting Wide NMR Spectra of Static Solid Samples with Weak Radiofrequency Fields

Diego Carnevale
  • Corresponding author
  • Neuchâtel Platform of Analytical Chemistry (NPAC), Institut de Chimie, Université de Neuchâtel, Avenue de Bellevaux 51, 2000 Neuchâtel, Switzerland
  • Institut des sciences et ingénierie chimiques (ISIC), Ecole Polytechnique Fédérale de LaUSAnne (EPFL), 1015 LaUSAnne, Switzerland
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  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Srinivas Chinthalapalli
  • Institut des sciences et ingénierie chimiques (ISIC), Ecole Polytechnique Fédérale de LaUSAnne (EPFL), 1015 LaUSAnne, Switzerland
  • Analytical and Spectroscopy Division (ASD), Analytical, Spectroscopy and Ceramics Group (ASCG), Propellants, Polymers, Chemicals and Materials (PCM) Entity, Vikram Sarabhai Space Centre (VSSC), Thiruvananthapuram 695 022, India
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Geoffrey Bodenhausen
  • Institut des sciences et ingénierie chimiques (ISIC), Ecole Polytechnique Fédérale de LaUSAnne (EPFL), 1015 LaUSAnne, Switzerland
  • Departement de Chimie, Ecole Normale Superieure, PSL Research University, UPMC Univ Paris 06, CNRS, Laboratoire des Biomolecules (LBM), 24 rue Lhomond, 75005 Paris, France
  • Sorbonne Universites, UPMC Univ Paris 06, Ecole Normale Superieure, CNRS, Laboratoire des Biomolecules (LBM), Paris, France
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2016-09-01 | DOI: https://doi.org/10.1515/zpch-2016-0808

Abstract

Trains of short pulses in the manner of ‘delays alternating with nutations for tailored excitation’ (DANTE) have been applied to the Pake patterns of protons of water molecules trapped in a static powdered sample of barium chlorate monohydrate. The spin dynamics in the course of such experiments have been investigated by means of numerical simulations and compared with the ideal refocusing that can be achieved under magic-angle spinning (MAS). Solid echoes yield essentially undistorted lineshapes, in contrast to direct excitation without refocusing that leads to severe dispersions of the phases because of inhomogeneous interactions such as homonuclear dipolar couplings and anisotropic chemical shifts. The selectivity of DANTE sequences allows one to access ‘slices’ of the Pake pattern that can be related to particular crystallite orientations. Single-crystal spectra can therefore be extracted from powder spectra. A similar behavior is expected for both dipolar and quadrupolar echoes.

Keywords: DANTE; dipolar echoes; dipolar interactions; hydration water; NMR spectroscopy; quadrupolar echoes; quadrupolar interactions; solid echoes; solid-state NMR of static samples

Dedicated to: Kev Salikhov on the occasion of his 80th birthday.

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About the article

Received: 2016-05-31

Accepted: 2016-07-25

Published Online: 2016-09-01

Published in Print: 2017-03-01


Citation Information: Zeitschrift für Physikalische Chemie, Volume 231, Issue 3, Pages 527–543, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1515/zpch-2016-0808.

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