Detailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and x-ray diffraction

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dc.contributor.authorSaines, PJen_AU
dc.contributor.authorYeung, HHMen_AU
dc.contributor.authorHester, JRen_AU
dc.contributor.authorLennie, ARen_AU
dc.contributor.authorCheetham, AKen_AU
dc.date.accessioned2011-12-20T02:01:31Zen_AU
dc.date.available2011-12-20T02:01:31Zen_AU
dc.date.issued2011-06-28en_AU
dc.date.statistics2011-12-20en_AU
dc.description.abstractThe effect of cation valency on the complex structures of divalent and trivalent transition metal gallates has been examined using a combination of neutron and synchrotron X-ray powder diffraction, single-crystal X-ray diffraction and XANES spectroscopy. In the divalent frameworks, M(C7H4O5)[middle dot]2H2O (M = Mn, Co and Ni), it was found that charge balance was achieved via the presence of protons on the meta-hydroxyl groups. It was also established that these compounds undergo a discontinuous phase transition at lower temperatures, which is driven by the position of the extra-framework water molecules in these materials. By contrast, in the trivalent Fe gallate, Fe(C7H3O5)[middle dot]2H2O, it was found that the stronger bonding between the meta-hydroxy oxygen and the cations leads to a weakening of the bond between this oxygen and its proton. This is turn is thought to lead to stronger hydrogen bonding with the extra-framework water. The lattice water is disordered in the Fe(iii) case, which prevents the phase transition found in the M(ii) gallates. Refinement against the neutron diffraction patterns also revealed that the relatively mild microwave synthesis of gallate frameworks in D2O led to an extensive deuteration of the ortho-hydrogen sites on the aromatic ring, which may suggest a more versatile method of deuterating aromatic organics. The antiferromagnetic structure of Co gallate has also been determined. © 2011, Royal Society of Chemistryen_AU
dc.identifier.citationSaines, P.J., Yeung, H.H.M., Hester, J.R., Lennie, A.R., Cheetham, A.K. (2011). Detailed investigations of phase transitions and magnetic structure in Fe(III), Mn(II), Co(II) and Ni(II) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and x-ray diffraction. Dalton Transactions, 40(24), 6401-6410. doi:10.1039/c0dt01687jen_AU
dc.identifier.govdoc3846en_AU
dc.identifier.issn1477-9226en_AU
dc.identifier.issue24en_AU
dc.identifier.journaltitleDalton Transactionsen_AU
dc.identifier.pagination6401-6410en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/c0dt01687jen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/3955en_AU
dc.identifier.volume40en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectSpectroscopyen_AU
dc.subjectHybridizationen_AU
dc.subjectProtonsen_AU
dc.subjectDeuterationen_AU
dc.titleDetailed investigations of phase transitions and magnetic structure in Fe(iii), Mn(ii), Co(ii) and Ni(ii) 3,4,5-trihydroxybenzoate (gallate) dihydrates by neutron and x-ray diffractionen_AU
dc.typeJournal Articleen_AU
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