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Design, synthesis and computational modelling of aromatic tweezer-molecules as models for chain-folding polymer blends
journal contribution
posted on 2023-06-09, 12:57 authored by Barnaby GreenlandBarnaby Greenland, Stefano Burattini, Wayne Hayes, Howard M ColquhounNovel ‘tweezer-type’ complexes that exploit the interactions between p-electron-rich pyrenyl groups and p-electron deficient diimide units have been designed and synthesised. The component molecules leading to complex formation were accessed readily from commercially available starting materials through short and efficient syntheses. Analysis of the resulting complexes, using the visible charge- transfer band, revealed association constants that increased sequentially from 130 to 11,000 M 1 as increasing numbers of p–p-stacking interactions were introduced into the systems. Computational modelling was used to analyse the structures of these complexes, revealing low-energy chain-folded conformations for both components, which readily allow close, multiple p–p-stacking and hydrogen bonding to be achieved. In this paper, we give details of our initial studies of these complexes and outline how their behaviour could provide a basis for designing self-healing polymer blends for use in adaptive coating systems.
History
Publication status
- Published
File Version
- Published version
Journal
TetrahedronISSN
0040-4020Publisher
ElsevierExternal DOI
Issue
63Volume
34Page range
8346-8354Department affiliated with
- Chemistry Publications
Full text available
- No
Peer reviewed?
- Yes