Anisotropic thermal and guest-induced responses of an ultramicroporous framework with rigid linkers

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dc.contributor.authorAuckett, JEen_AU
dc.contributor.authorDuyker, SGen_AU
dc.contributor.authorIzgorodina, EIen_AU
dc.contributor.authorHawes, CSen_AU
dc.contributor.authorTurner, DRen_AU
dc.contributor.authorBatten, SRen_AU
dc.contributor.authorPeterson, VKen_AU
dc.date.accessioned2021-08-25T00:22:54Zen_AU
dc.date.available2021-08-25T00:22:54Zen_AU
dc.date.issued2018-02-16en_AU
dc.date.statistics2021-08-23en_AU
dc.description.abstractThe interdependent effects of temperature and guest uptake on the structure of the ultramicroporous metal–organic framework [Cu3(cdm)4] (cdm=C(CN)2(CONH2)−) were explored in detail by using in situ neutron scattering and density functional theory calculations. The tetragonal lattice displays an anisotropic thermal response related to a hinged “lattice-fence” mechanism, unusual for this topology, which is facilitated by pivoting of the rigid cdm anion about the Cu nodes. Calculated pore-size metrics clearly illustrate the potential for temperature-mediated adsorption in ultramicroporous frameworks due to thermal fluctuations of the pore diameter near the value of the target guest kinetic diameter, though in [Cu3(cdm)4] this is counteracted by a competing contraction of the pore with increasing temperature as a result of the anisotropic lattice response. © 2018 Wiley-VCH Verlag GmbH & Co.en_AU
dc.identifier.citationAuckett, J. E., Duyker, S. G., Izgorodina, E. I., Hawes, C. S., Turner, D. R., Batten, S. R., & Peterson, V. K. (2018). Anisotropic thermal and guest-induced responses of an ultramicroporous framework with rigid linkers. Chemistry - A European Journal, 24(19), 4774-4779. doi:10.1002/chem.201800261en_AU
dc.identifier.issn1521-3765en_AU
dc.identifier.issue19en_AU
dc.identifier.journaltitleChemistry - A European Journalen_AU
dc.identifier.pagination4774-4779en_AU
dc.identifier.urihttps://doi.org/10.1002/chem.201800261en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/11483en_AU
dc.identifier.volume24en_AU
dc.language.isoenen_AU
dc.publisherJohn Wiley & Sons, Incen_AU
dc.subjectDensity functional methoden_AU
dc.subjectSorptionen_AU
dc.subjectGasesen_AU
dc.subjectThermal expansionen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectTemperatureen_AU
dc.subjectCrystal latticesen_AU
dc.titleAnisotropic thermal and guest-induced responses of an ultramicroporous framework with rigid linkersen_AU
dc.typeJournal Articleen_AU
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