Della Pia, A., Luo, D., Blackwell, R. et al. (2 more authors) (2017) Molecular Self-Assembly of Substituted Terephthalic Acids at the Liquid/Solid Interface: Investigating the Effect of Solvent. Faraday Discussions, 204. pp. 191-213. ISSN 1359-6640
Abstract
Self-assembly of three related molecules - terephthalic acid and its hydroxylated analogues - at the liquid/solid interfaces (graphite/heptanoic acid and graphite/1-phenyloctane) has been studied using a combination of scanning tunnelling microscopy and molecular mechanics and molecular dynamics calculations. Brickwork-like patterns typical for terephthalic acid self-assembly have been observed for all three molecules. However, several differences became apparent: (i) formation or lack of adsorbed monolayers (self-assembled monolayers formed in all systems, with one notable exception of terephthalic acid at the graphite/1-phenyloctane interface where no adsorption was observed), (ii) the size of adsorbate islands (large islands at the interface with heptanoic acid and smaller ones at the interface with 1-phenyloctane), (iii) polymorphism of the hydroxylated terephthalic acid monolayers, dependent on the molecular structure and/or solvent. To rationalise this behaviour, molecular mechanics and molecular dynamics calculations have been performed, to analyse the three key aspects of the energetics of self-assembly: intermolecular, substrate-adsorbate and solvent-solute interactions. These energetic characteristics of self-assembly were brought together in a Born-Haber cycle, to obtain the overall energy effects of formation of self-assembled monolayers at these liquid/solid interfaces.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2017 Royal Society of Chemistry. This is an author produced version of a paper subsequently published in Faraday Discussions. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 26 Apr 2017 09:58 |
Last Modified: | 03 Aug 2023 11:54 |
Status: | Published |
Publisher: | Royal Society of Chemistry |
Refereed: | Yes |
Identification Number: | 10.1039/C7FD00112F |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:115537 |