Temperature dependent solid-state proton migration in dimethylurea–oxalic acid complexes

Jones, Andrew O. F. and Lemee-Cailleau, Marie-Helene and Martins, David M. S. and McIntyre, Garry J. and Oswald, Iain D. H. and Pulham, Colin R. and Spanswick, Christopher K. and Thomas, Lynne H. and Wilson, Chick C. (2012) Temperature dependent solid-state proton migration in dimethylurea–oxalic acid complexes. Physical Chemistry Chemical Physics, 14 (38). pp. 13273-13283. ISSN 1463-9076

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Official URL: https://doi.org/10.1039/c2cp41782k

Abstract

The phenomenon of solid-state proton migration within molecular complexes containing short hydrogen bonds is investigated in two dimethylurea-oxalic acid complexes. Extensive characterisation by both X-ray and neutron diffraction shows that proton migration along the hydrogen bond can be induced in these complexes as a function of temperature. This emphasises the subtle features of the hydrogen bond potential well in such short hydrogen bonded complexes, both intrinsically and in the effect of the local crystalline environment. Based on these findings, the synthesis and analysis of a series of solid-state molecular complexes is shown to be a potential route to designing materials with tuneable proton migration effects.

Creators(s):	Jones, Andrew O. F., Lemee-Cailleau, Marie-Helene, Martins, David M. S., McIntyre, Garry J., Oswald, Iain D. H. ORCID: https://orcid.org/0000-0003-4339-9392, Pulham, Colin R., Spanswick, Christopher K., Thomas, Lynne H. and Wilson, Chick C.;
Item type:	Article
ID code:	42001
Keywords:	hydrogen bonds, tuneable proton migration effects, temperature, Physical and theoretical chemistry, Physics and Astronomy(all), Physical and Theoretical Chemistry
Subjects:	Science > Chemistry > Physical and theoretical chemistry
Department:	Faculty of Science > Strathclyde Institute of Pharmacy and Biomedical Sciences Technology and Innovation Centre > Continuous Manufacturing and Crystallisation (CMAC)
Depositing user:	Pure Administrator
Date deposited:	12 Nov 2012 16:48
Last modified:	06 Jan 2021 08:20
Related URLs:	Scopus publication
URI:	https://strathprints.strath.ac.uk/id/eprint/42001
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