Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes.
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.
Department of Chemistry, University of Bath, Bath BA2 7AY, UK.
Andrew O F
AO
Jones
Marie-Hélène
MH
Lemée-Cailleau
David M S
DM
Martins
Garry J
GJ
McIntyre
Iain D H
ID
Oswald
Colin R
CR
Pulham
Christopher K
CK
Spanswick
Lynne H
LH
Thomas
Chick C
CC
Wilson
D003460:Crystallization; D006860:Hydrogen Bonding; D008782:Methylurea Compounds / Q000737:chemistry*; D008968:Molecular Conformation; D033363:Neutron Diffraction; D019815:Oxalic Acid / Q000737:chemistry*; D011522:Protons; D013696:Temperature; D014961:X-Ray Diffraction
D008782:Methylurea Compounds; D011522:Protons; D019815:Oxalic Acid; C002352:methylurea