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Investigation of proton dynamics and the proton transport pathway in choline dihydrogen phosphate using solid-state NMR

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Cahill, Lindsay S., Rana, Usman Ali, Forsyth, Maria and Smith, Mark E.. (2010) Investigation of proton dynamics and the proton transport pathway in choline dihydrogen phosphate using solid-state NMR. Physical Chemistry Chemical Physics, Vol.12 (No.20). pp. 5431-5438. ISSN 1463-9076

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Official URL: http://dx.doi.org/10.1039/b916422g

Abstract

Choline dihydrogen phosphate has previously been shown to be a good ionic conductor as well as an excellent host for acid doping, leading to high proton conductivities required for e.g., electrochemical devices including proton membrane fuel cells and sensors. A combination of variable-temperature H-1 solid-state NMR and 2D NMR pulse sequences, including P-31 and C-13 CODEX and H-1 BaBa, show that the proton conduction mechanism primarily involves assisted transport via a restricted three-site motion of the phosphate unit around the P-O bond that is hydrogen bonded to the choline and exchange of protons between these anions. In other words, proton transport at ambient temperatures appears to occur most favorably along the crystallographic b axis, from phosphate dimer to dimer. At elevated temperatures exchange between the protons of the hydroxyl group on the choline cation and the hydrogen-bonded dihydrogen phosphate groups also contributes to the structural diffusion of the protons in this solid state conductor.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics Q Science > QD Chemistry
Divisions:	Administration > Vice Chancellor's Office Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Choline -- Transport properties, Protons -- Transport properties, Nuclear magnetic resonance spectroscopy
Journal or Publication Title:	Physical Chemistry Chemical Physics
Publisher:	Royal Society of Chemistry
ISSN:	1463-9076
Date:	2010
Volume:	Vol.12
Number:	No.20
Number of Pages:	8
Page Range:	pp. 5431-5438
Identification Number:	10.1039/b916422g
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Funder:	Engineering and Physical Sciences Research Council (EPSRC), Natural Sciences and Engineering Research Council of Canada (NSERC), Advantage West Midlands (AWM), University of Warwick, Australian Research Council (ARC)
Grant number:	EP/F022913 (EPSRC)
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URI:	http://wrap.warwick.ac.uk/id/eprint/5883