Self-assembly of indole-2-carboxylic acid at graphite and gold surfaces

De Marchi, Fabrizio, Cui, Daling, Lipton-Duffin, Josh, Santato, Clara, MacLeod, Jennifer M., & Rosei, Federico (2015) Self-assembly of indole-2-carboxylic acid at graphite and gold surfaces. The Journal of Chemical Physics, 142(10), 101923 (1-8).

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Model systems are critical to our understanding of self-assembly processes. As such, we have studied the surface self-assembly of a small and simple molecule, indole-2-carboxylic acid (I2CA). We combine density functional theory gas-phase (DFT) calculations with scanning tunneling microscopy to reveal details of I2CA assembly in two different solvents at the solution/solid interface, and on Au(111) in ultrahigh vacuum (UHV). In UHV and at the trichlorobenzene/highly oriented pyrolytic graphite (HOPG) interface, I2CA forms epitaxial lamellar structures based on cyclic OH⋯O carboxylic dimers. The structure formed at the heptanoic acid/HOPG interface is different and can be interpreted in a model where heptanoic acid molecules co-adsorb on the substrate with the I2CA, forming a bicomponent commensurate unit cell. DFT calculations of dimer energetics elucidate the basic building blocks of these structures, whereas calculations of periodic two-dimensional assemblies reveal the epitaxial effects introduced by the different substrates.

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3 citations in Web of Science®

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ID Code: 89932
Item Type: Journal Article
Refereed: Yes
DOI: 10.1063/1.4908143
ISSN: 1089-7690
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > Institutes > Institute for Future Environments
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2015 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
Copyright Statement: The following article appeared in The Journal of Chemical Physics and may be found at
Deposited On: 05 Nov 2015 00:57
Last Modified: 05 Nov 2015 22:34

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