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).
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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|Item Type:||Journal Article|
|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 http://scitation.aip.org/content/aip/journal/jcp/142/10/10.1063/1.4908143|
|Deposited On:||05 Nov 2015 00:57|
|Last Modified:||05 Nov 2015 22:34|
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