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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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Supplementary files

Article information


Submitted
04 Jul 2014
Accepted
24 Oct 2014
First published
24 Oct 2014

This article is Open Access

CrystEngComm, 2015,17, 299-306
Article type
Paper
Author version available

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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