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
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.
Every reasonable effort has been made to ensure that permission has been obtained for items included in DRO. If you believe that your rights have been infringed by this repository, please contact drosupport@deakin.edu.au.