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https://apo.ansto.gov.au/dspace/handle/10238/11483| Title: | Anisotropic thermal and guest-induced responses of an ultramicroporous framework with rigid linkers |
| Authors: | Auckett, JE Duyker, SG Izgorodina, EI Hawes, CS Turner, DR Batten, SR Peterson, VK |
| Keywords: | Density functional method Sorption Gases Thermal expansion Neutron diffraction Temperature Crystal lattices |
| Issue Date: | 16-Feb-2018 |
| Publisher: | John Wiley & Sons, Inc |
| Citation: | Auckett, 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.201800261 |
| Abstract: | The 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. |
| URI: | https://doi.org/10.1002/chem.201800261 https://apo.ansto.gov.au/dspace/handle/10238/11483 |
| ISSN: | 1521-3765 |
| Appears in Collections: | Journal Articles |
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