Insight into local structure and molecular dynamics in organic solid-state ionic conductors Zhu, H., Chen, F., Jin, L., O'Dell, L. A. and Forsyth, M. 2014, Insight into local structure and molecular dynamics in organic solid-state ionic conductors, Chemphyschem, vol. 15, no. 17, pp. 3720-3724, doi: 10.1002/cphc.201402487. Attached Files Name Description MIMEType Size Downloads Title Insight into local structure and molecular dynamics in organic solid-state ionic conductors Author(s) Zhu, H. orcid.org/0000-0001-6352-7633 Chen, F. orcid.org/0000-0002-8004-1720 Jin, L. O'Dell, L. A. orcid.org/0000-0002-7760-5417 Forsyth, M. orcid.org/0000-0002-4273-8105 Journal name Chemphyschem Volume number 15 Issue number 17 Start page 3720 End page 3724 Total pages 5 Publisher Wiley Place of publication Weinheim, Germany Publication date 2014-12-01 ISSN 1439-7641 Keyword(s) NMR spectroscopy chemical shift anisotropy molecular dynamics plastic crystals quantum chemical calculations Summary Elucidating the rate and geometry of molecular dynamics is particularly important for unravelling ion-conduction mechanisms in electrochemical materials. The local molecular motions in the plastic crystal 1-ethyl-1-methylpyrrolidinium tetrafluoroborate ([C2 mpyr][BF4 ]) are studied by a combination of quantum chemical calculations and advanced solid-state nuclear magnetic resonance spectroscopy. For the first time, a restricted puckering motion with a small fluctuation angle of 25° in the pyrrolidinium ring has been observed, even in the low-temperature phase (-45 °C). This local molecular motion is deemed to be particularly important for the material to maintain its plasticity, and hence, its ion mobility at low temperatures. Language eng DOI 10.1002/cphc.201402487 Field of Research 030304 Physical Chemistry of Materials Socio Economic Objective 850602 Energy Storage (excl. Hydrogen) HERDC Research category C1 Refereed article in a scholarly journal ERA Research output type C Journal article Grant ID FL110100013 Copyright notice ©2014, Wiley-Blackwell Persistent URL http://hdl.handle.net/10536/DRO/DU:30068252 Document type: Journal Article Collections: Institute for Frontier Materials GTP Research Related Links Link Description Connect to published version Go to link with your DU access privileges   Author URL Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Tue, 16 Dec 2014, 11:05:25 EST Tue, 16 Dec 2014, 11:05:57 EST Wed, 17 Dec 2014, 04:02:24 EST Thu, 12 Feb 2015, 15:37:15 EST Fri, 13 Feb 2015, 09:05:59 EST Fri, 13 Feb 2015, 09:06:59 EST Fri, 27 Feb 2015, 08:42:15 EST Tue, 01 Dec 2015, 13:39:55 EST Fri, 20 Jan 2017, 14:46:15 EST Fri, 20 Jan 2017, 14:47:50 EST Filtered Full Citation counts:   Cited 19 times in TR Web of Science Cited 21 times in Scopus Search Google Scholar Access Statistics: 704 Abstract Views, 2 File Downloads  -  Detailed Statistics Created: Tue, 16 Dec 2014, 11:05:57 EST

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