English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy

Beerwerth, J., Storek, M., Greim, D., Lueg, J., Siegel, R., Cetinkaya, B., et al. (2018). Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy. Journal of Magnetic Resonance, 288, 84-94. doi:10.1016/j.jmr.2018.01.016.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/21.11116/0000-0000-7EE0-6 Version Permalink: http://hdl.handle.net/21.11116/0000-0000-7EE1-5
Genre: Journal Article

Files

show Files
hide Files
:
JMagnReson_288_2018_84.pdf (Any fulltext), 2MB
 
File Permalink:
-
Name:
JMagnReson_288_2018_84.pdf
Description:
-
Visibility:
Restricted (Max Planck Institute for Medical Research, Heidelberg; )
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Creators

show
hide
 Creators:
Beerwerth, J., Author
Storek, M., Author
Greim, D., Author
Lueg, J., Author
Siegel, R., Author
Cetinkaya, B., Author
Hiller, W., Author
Zimmermann, H.1, Author              
Senker, J., Author
Böhmer, R., Author
Affiliations:
1Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              

Content

show
hide
Free keywords: Quadrupolar nuclei | Solid-state exchange NMR | Stimulated spin echoes
 Abstract: Polycrystalline dimethyl sulfone is studied using central-transition oxygen-17 exchange NMR. The quadrupolar and chemical shift tensors are determined by combining quantum chemical calculations with line shape analyses of rigid-lattice spectra measured for stationary and rotating samples at several external magnetic fields. Quantum chemical computations predict that the largest principal axes of the chemical shift anisotropy and electrical field gradient tensors enclose an angle of about 73°. This prediction is successfully tested by comparison with absorption spectra recorded at three different external magnetic fields. The experimental one-dimensional motionally narrowed spectra and the two-dimensional exchange spectrum are compatible with model calculations involving jumps of the molecules about their two-fold symmetry axis. This motion is additionally investigated by means of two-time stimulated-echo spectroscopy which allows for a determination of motional correlation functions over a wider temperature range than previously reported using carbon and deuteron NMR. On the basis of suitable second-order quadrupolar frequency distributions, sin-sin stimulated-echo amplitudes are calculated for a two-site model in the limit of vanishing evolution time and compared with experimental findings. The present study thus establishes oxygen-17 NMR as a powerful method that will be particularly useful for the study of solids and liquids devoid of nuclei governed by first-order anisotropies.

Details

show
hide
Language(s): eng - English
 Dates: 2018-01-232017-12-072018-01-272018-01-312018-03-01
 Publication Status: Published in print
 Pages: 11
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1016/j.jmr.2018.01.016
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Journal of Magnetic Resonance
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: San Diego [etc.] : Academic Press
Pages: - Volume / Issue: 288 Sequence Number: - Start / End Page: 84 - 94 Identifier: ISSN: 0022-2364
CoNE: /journals/resource/954922651175_1