Deuteron quadrupole coupling constants and reorientational correlation times in protic ionic liquids
Author:
Affiliation:
1. Universität Rostock
2. Institut für Chemie
3. Abteilung für Physikalische Chemie
4. 18059 Rostock
5. Germany
6. Leibniz-Institut für Katalyse an der Universität Rostock e.V.
Abstract
We describe a method for the accurate determination of deuteron quadrupole coupling constants and reorientational correlation times in protic ionic liquids by means of NMR relaxations time experiments, DFT-calculations and molecular dynamics simulations.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP01462C
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