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Issue 2, 2015
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Structure-directing factors when introducing hydrogen bond functionality to metal–organic frameworks

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Abstract

The introduction of H-bond donor/acceptor functionality into metal–organic frameworks (MOFs) can have a beneficial effect on their molecular recognition, uptake selectivity and catalytic properties. The changes in ligand geometry induced by incorporation of functional groups may also affect the topology and composition of the resultant MOFs. Herein, we present a comprehensive study of functional group incorporation into MOFs, linked by either Zn2+ paddlewheel units or monomeric Zn2+ corners, which exhibit pcu and dia topology, respectively. Crystallographic analysis shows that amide groups can be easily incorporated into isoreticular pcu pillared-MOFs, whilst integration of urea units results in materials with dia topology. Molecular simulations allow the examination of hypothetical structures with differing constitutions and topologies, and highlight the influence of the urea units in generating the experimentally observed topologies. Noncovalent interactions between independent nets may be significant structure-directing influences, a finding which has great implications for the design of MOFs containing more complex functional groups.

Graphical abstract: Structure-directing factors when introducing hydrogen bond functionality to metal–organic frameworks

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Publication details

The article was received on 04 Jul 2014, accepted on 24 Oct 2014 and first published on 24 Oct 2014


Article type: Paper
DOI: 10.1039/C4CE01379D
Citation: CrystEngComm, 2015,17, 299-306
  • Open access: Creative Commons BY license
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    Structure-directing factors when introducing hydrogen bond functionality to metal–organic frameworks

    R. S. Forgan, R. J. Marshall, M. Struckmann, A. B. Bleine, D. Long, M. C. Bernini and D. Fairen-Jimenez, CrystEngComm, 2015, 17, 299
    DOI: 10.1039/C4CE01379D

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