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Molecular self-assembly of substituted terephthalic acids at the liquid/solid interface : investigating the effect of solvent
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Della Pia, Ada, Luo, D., Blackwell, R., Costantini, Giovanni and Martsinovich, N. (2017) Molecular self-assembly of substituted terephthalic acids at the liquid/solid interface : investigating the effect of solvent. Faraday Discussions, 204 . pp. 191-213. doi:10.1039/C7FD00112F ISSN 0301-7249.
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WRAP-molecular-self-assembly-substituted-terephthalic-acids-Costantini-2017.pdf - Accepted Version - Requires a PDF viewer. Download (1091Kb) | Preview |
Official URL: http://dx.doi.org/10.1039/C7FD00112F
Abstract
Self-assembly of three related molecules – terephthalic acid and its hydroxylated analogues – at 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), and (iii) polymorphism of the hydroxylated terephthalic acids’ 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.
| Item Type: | Journal Article | ||||||
|---|---|---|---|---|---|---|---|
| Subjects: | Q Science > QD Chemistry | ||||||
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||
| Library of Congress Subject Headings (LCSH): | Terephthalic acid, Self-assembly (Chemistry) | ||||||
| Journal or Publication Title: | Faraday Discussions | ||||||
| Publisher: | Royal Society of Chemistry | ||||||
| ISSN: | 0301-7249 | ||||||
| Official Date: | 12 April 2017 | ||||||
| Dates: |
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| Volume: | 204 | ||||||
| Page Range: | pp. 191-213 | ||||||
| DOI: | 10.1039/C7FD00112F | ||||||
| Status: | Peer Reviewed | ||||||
| Publication Status: | Published | ||||||
| Access rights to Published version: | Restricted or Subscription Access | ||||||
| Date of first compliant deposit: | 31 October 2017 | ||||||
| Date of first compliant Open Access: | 12 April 2018 | ||||||
| Funder: | University of Warwick, European Research Council (ERC) |
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