Role of host-guest interaction in understanding polymerisation in metal-organic frameworks

Wonanke, ADD ORCID: https://orcid.org/0000-0002-9066-2715, Bennett, P, Caldwell, L and Addicoat, MA ORCID: https://orcid.org/0000-0002-5406-7927, 2021. Role of host-guest interaction in understanding polymerisation in metal-organic frameworks. Frontiers in Chemistry, 9: 716294.

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Abstract

Metal-organic frameworks, MOFs, offer an effective template for polymerisation of polymers with precisely controlled structures within the sub-nanometre scales. However, synthetic difficulties such as monomer infiltration, detailed understanding of polymerisation mechanisms within the MOF nanochannels and the mechanism for removing the MOF template post polymerisation have prevented wide scale implementation of polymerisation in MOFs. This is partly due to the significant lack in understanding of the energetic and atomic-scale intermolecular interactions between the monomers and the MOFs. Consequently in this study, we explore the interaction of varied concentration of styrene, and 3,4-ethylenedioxythiophene (EDOT), at the surface and in the nanochannel of Zn2(1,4-ndc)2 (dabco), where 1,4-ndc = 1,4-naphthalenedicarboxylate and dabco = 1,4-diazabicyclo[2.2.2]octane. Our results showed that the interactions between monomers are stronger in the nanochannels than at the surfaces of the MOF. Moreover, the MOF-monomer interactions are strongest in the nanochannels and increase with the number of monomers. However, as the number of monomers increases, the monomers turn to bind more strongly at the surface leading to a potential agglomeration of the monomers at the surface.

Item Type:	Journal article
Publication Title:	Frontiers in Chemistry
Creators:	Wonanke, A.D.D., Bennett, P., Caldwell, L. and Addicoat, M.A.
Publisher:	Frontiers Media SA
Date:	21 July 2021
Volume:	9
Identifiers:	Number Type 10.3389/fchem.2021.716294 DOI 1454006 Other
Rights:	Copyright © 2021 Wonanke, Bennett, Caldwell and Addicoat. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
Divisions:	Schools > School of Science and Technology
Record created by:	Linda Sullivan
Date Added:	02 Aug 2021 09:50
Last Modified:	02 Aug 2021 09:50
URI:	https://irep.ntu.ac.uk/id/eprint/43694

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