The effect of sterically active ligand substituents on gas adsorption within a family of 3D Zn-based coordination polymers

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dc.contributor.authorAbrahams, BFen_AU
dc.contributor.authorBabarao, Ren_AU
dc.contributor.authorDharma, ADen_AU
dc.contributor.authorHolmes, JLen_AU
dc.contributor.authorHudson, TAen_AU
dc.contributor.authorMaynard-Casely, HEen_AU
dc.contributor.authorMcGain, Fen_AU
dc.contributor.authorRobson, Ren_AU
dc.contributor.authorWaite, KFen_AU
dc.date.accessioned2021-12-22T20:24:05Zen_AU
dc.date.available2021-12-22T20:24:05Zen_AU
dc.date.issued2020-06-09en_AU
dc.date.statistics2021-12-21en_AU
dc.description.abstractAn investigation of the adsorption properties of two structurally related, 3D coordination polymers of composition Zn(2-Mehba) and Zn(2,6-Me2hba) (2-Mehba = the dianion of 2-methyl-4-hydroxybenzoic acid and 2,6-Me2hba = the dianion of 2,6-dimethyl-4-hydroxybenzoic acid) is presented. A common feature of these structures are parallel channels that are able to accommodate appropriately sized guest molecules. The structures differ with respect to the steric congestion within the channels arising from methyl groups appended to the bridging ligands of the network. The host network, Zn(2-Mehba), is able to take up appreciable quantities of H2 (77 K) and CO2 and CH4 (298 K) in a reversible manner. In regard to the adsorption of N2 by Zn(2-Mehba), there appears to be an unusual temperature dependence for the uptake of the gas such that when the temperature is increased from 77 to 298 K the uptake of N2 increases. The relatively narrow channels of Zn(2,6-Me2hba) are too small to allow the uptake of N2 and CH4, but H2 molecules can be adsorbed. A pronounced step at elevated pressures in CO2 and N2O isotherms for Zn(2,6-Me2hba) is noted. Calculations indicate that rotation of phenolate rings leads to a change in the available intraframework space during CO2 dosing. © 2020 American Chemical Societyen_AU
dc.description.sponsorshipFinancial support from Western Health, The Australian and New Zealand Society of Anaesthetists, and the Australian Research Council (DP0663872) is gratefully acknowledged. R.B. acknowledges the Australian Research Council (DE160100987) for financial support and Alexander von Humboldt Foundation for the visiting research fellowship.en_AU
dc.identifier.citationAbrahams, B. F., Babarao, R., Dharma, A. D., Holmes, J. L., Hudson, T. A., Maynard-Casely, H. E., McGain, F., Robson, R. & White, K. F. (2020). The effect of sterically active ligand substituents on gas adsorption within a family of 3D Zn-based coordination polymers. Inorganic Chemistry, 59(13), 8871-8881. doi:10.1021/acs.inorgchem.0c00684en_AU
dc.identifier.issn1520-510Xen_AU
dc.identifier.issue13en_AU
dc.identifier.journaltitleInorganic Chemistryen_AU
dc.identifier.pagination8871-8881en_AU
dc.identifier.urihttps://doi.org/10.1021/acs.inorgchem.0c00684en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/12649en_AU
dc.identifier.volume59en_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectLigandsen_AU
dc.subjectPolymersen_AU
dc.subjectGasesen_AU
dc.subjectAdsorptionen_AU
dc.subjectIsothermsen_AU
dc.subjectCrystal structureen_AU
dc.subjectMaterialsen_AU
dc.subjectMoleculesen_AU
dc.titleThe effect of sterically active ligand substituents on gas adsorption within a family of 3D Zn-based coordination polymersen_AU
dc.typeJournal Articleen_AU
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