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)
|
Text
98654.pdf - Published Version Available under License Creative Commons Attribution. 3MB |
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, Professor Ross and Long, Dr Deliang 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 |
University Staff: Request a correction | Enlighten Editors: Update this record
Altmetric
Altmetric