Hydration studies of a simple molecular solid

Okoth, Maurice Oduor, Vrcelj, Ranko Mirko, Sheen, David Bernard and Sherwood, John Neil (2012) Hydration studies of a simple molecular solid. CrystEngComm, 14 (5). p. 1602. ISSN 1466-8033

Full content URL: http://dx.doi.org/10.1039/c2ce06301h

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Item Type:Article
Item Status:Live Archive


This paper presents novel information on the thermal dehydration and rehydration of the molecular
solid, Oxalic Acid Dihydrate. Although the procedure of the overall decomposition process is welldefined,
the structural basis and mechanism of the dehydration process has been poorly studied. We
show that the dehydration occurs in a planar manner, with a resultant semi-topotactic relationship
between hydrated and dehydrated structures, reflected in the molecular packing. During rehydration,
the reconstruction of the phase can be seen to occur at a 3-dimensional phase boundary reaction front,
i.e. a recrystallisation of the dihydrate on the surface of the reactant product, with the topotactic
relationship leading to texturing and possibly epitaxial relationships between partially dehydrated and
rehydrated structures. The proposed mechanism is shown to be consistent with the measured kinetics of
the process.

Keywords:hydration, Oxalic acid
Subjects:F Physical Sciences > F130 Structural Chemistry
F Physical Sciences > F151 Pharmaceutical Chemistry
Divisions:College of Science > School of Pharmacy
ID Code:16732
Deposited On:18 Feb 2015 14:35

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