Structure-directing factors when introducing hydrogen bond functionality to metal-organic frameworks

Forgan, R. S. , Marshall, R. J., Struckmann, M., Bleine, A., Long, D.-L. , Bernini, M. C. and Fairen-Jimenez, D. (2015) Structure-directing factors when introducing hydrogen bond functionality to metal-organic frameworks. CrystEngComm, 17(2), pp. 299-306. (doi:10.1039/C4CE01379D)

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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.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Forgan, Dr Ross and Long, Dr De Liang and Marshall, Mr Ross James
Authors: Forgan, R. S., Marshall, R. J., Struckmann, M., Bleine, A., Long, D.-L., Bernini, M. C., and Fairen-Jimenez, D.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:CrystEngComm
Publisher:Royal Society of Chemistry
ISSN:1466-8033
ISSN (Online):1466-8033
Copyright Holders:Copyright © 2014 The Authors
First Published:First published in CrystEngComm 17(2):299-306
Publisher Policy:Reproduced under a Creative Commons License

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
619471Biomimetic guest selective metal-organic frameworks: catalysis and self-assemblyRoss ForganEngineering & Physical Sciences Research Council (EPSRC)EP/L004461/1CHEM - CHEMISTRY