Coordination frameworks: host-guest chemistry and structural dynamics

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dc.contributor.authorOgilvie, SHen_AU
dc.contributor.authorDuyker, SGen_AU
dc.contributor.authorPeterson, VKen_AU
dc.contributor.authorKepert, CJen_AU
dc.date.accessioned2021-10-08T04:35:16Zen_AU
dc.date.available2021-10-08T04:35:16Zen_AU
dc.date.issued2012-11-07en_AU
dc.date.statistics2021-09-24en_AU
dc.descriptionNot available online. Conference Handbook is held by ANSTO Library at DDC 539.758/9.en_AU
dc.description.abstractCoordination frameworks employ metal ions possessing well defined coordination geometries and an extensive range of molecular bridging ligands with a vast array of functional groups to produce microporous materials with a range of interesting and useful properties. My PhD research is focused towards characterising the structural behaviour of three of these properties in metal-cyanide and metal-imidazolate materials: 1) gas adsorption; 2) metal insertion and; 3) anomalous thermal expansion. Neutron diffraction and scattering are central to all three areas and provide essential information that cannot be readily obtained from other techniques. This is largely due to their sensitivity to light atoms, important for determining the location of light atoms (e.g. CO2 and Li+ ions); their highly penetrating nature, allowing the use of highly specialised sample environments; and their inelastic scattering to provide information on host-guest binding energetics. Gas Adsorption: The primary goal is to elucidate the packing and ordering behaviours of carbon dioxide. These frameworks contain a variety of functional groups which have a known affinity for interaction with CO2, making them suitable for the selective separation of gas mixtures commonly found as flue gas streams of combustion power sources. Metal insertion: The goal is to develop structural understandings of the redox-insertion of lithium and sodium into metal-cyanide phases for the development of new battery electrode materials. Recent work from our group has shown very high reversible loadings of Li into these materials, with in-situ NPD at OPAL used to determine the structures during insertion. Anomalous thermal expansion: Our group has previously investigated the anomalous thermal expansion behaviour in a range of coordination frameworks. Using both NPD and INS, the goal of this project is to develop an even greater understanding of guest influence on these temperature dependent structural behaviours.en_AU
dc.identifier.citationOgilvie, S. H., Duyker, S. G., Peterson, V. K. & Kepert, C. J. (2012). Coordination frameworks: host-guest chemistry and structural dynamics. Paper presented at the 10th AINSE-ANBUG Neutron Scattering Symposium (AANSS), Sydney, 7 - 9 November 2012, (pp. 79).en_AU
dc.identifier.conferenceenddate9 November 2012en_AU
dc.identifier.conferencename10th AINSE-ANBUG Neutron Scattering Symposium (AANSS)en_AU
dc.identifier.conferenceplaceSydney, NSW, Australiaen_AU
dc.identifier.conferencestartdate7 November 2012en_AU
dc.identifier.pagination79en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11903en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Nuclear Science and Engineering (AINSE)en_AU
dc.subjectInteractionsen_AU
dc.subjectAdsorptionen_AU
dc.subjectLigandsen_AU
dc.subjectInelastic scatteringen_AU
dc.subjectCarbon dioxideen_AU
dc.subjectCyanidesen_AU
dc.subjectIonsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectScatteringen_AU
dc.titleCoordination frameworks: host-guest chemistry and structural dynamicsen_AU
dc.typeConference Presentationen_AU
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