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Auckett, JE, Duyker, SG, Izgorodina, EI, Hawes, CS, Turner, DR, Batten, SR and Peterson, VK (2018) Anisotropic Thermal and Guest-Induced Responses of an Ultramicroporous Framework with Rigid Linkers. Chemistry - A European Journal, 24 (19). pp. 4774-4779. ISSN 1521-3765

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C Hawes - Anisotropic thermal and guest-induced responses of an ultramicroporous framework with rigid linkers.pdf - Accepted Version
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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.

Item Type: Article
Additional Information: This is the peer reviewed version of the following article: Anisotropic Thermal and Guest-Induced Responses of an Ultramicroporous Framework with Rigid Linkers, which has been published in final form at https://doi.org/10.1002/chem.201800261 . This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
Uncontrolled Keywords: Gas Sorption; negative thermal expansion
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Natural Sciences > School of Chemical and Physical Sciences
Depositing User: Symplectic
Date Deposited: 20 Feb 2018 15:24
Last Modified: 16 Feb 2019 01:30
URI: https://eprints.keele.ac.uk/id/eprint/4490

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