Quantitative Insights into the Adsorption Structure of Diindeno[1,2-a;1′,2′-c]fluorene-5,10,15-trione (Truxenone) on a Cu(111) Surface Using X-ray Standing Waves

Duncan, David A.; Blowey, Philip J.; Lee, Tien-Lin; Allegretti, Francesco; Nielsen, Christian B.; Rochford, Luke A.

Abstract

The adsorption structure of truxenone on Cu(111) was determined quantitatively using normal-incidence X-ray standing waves. The truxenone molecule was found to chemisorb on the surface, with all adsorption heights of the dominant species on the surface less than ∼2.5 Å. The phenyl backbone of the molecule adsorbs mostly parallel to the underlying surface, with an adsorption height of 2.32 ± 0.08 Å. The C atoms bound to the carbonyl groups are located closer to the surface at 2.15 ± 0.10 Å, a similar adsorption height to that of the chemisorbed O species; however, these O species were found to adsorb at two different adsorption heights, 1.96 ± 0.08 and 2.15 ± 0.06 Å, at a ratio of 1:2, suggesting that on average, one O atom per adsorbed truxenone molecule interacts more strongly with the surface. The adsorption geometry determined herein is an important benchmark for future theoretical calculations concerning both the interaction with solid surfaces and the electronic properties of a molecule with electron-accepting properties for applications in organic electronic devices.

Citation

Duncan, D. A., Blowey, P. J., Lee, T.-L., Allegretti, F., Nielsen, C. B., & Rochford, L. A. (2021). Quantitative Insights into the Adsorption Structure of Diindeno[1,2-a;1′,2′-c]fluorene-5,10,15-trione (Truxenone) on a Cu(111) Surface Using X-ray Standing Waves. ACS Omega, 6(50), 34525-34531. https://doi.org/10.1021/acsomega.1c04799

• Journal Article Type: Article
• Acceptance Date: Nov 25, 2021
• Online Publication Date: Dec 8, 2021
• Publication Date: Dec 21, 2021
• Deposit Date: Feb 19, 2025
• Publicly Available Date: Feb 20, 2025
• Journal: ACS Omega
• Electronic ISSN: 2470-1343
• Publisher: American Chemical Society
• Peer Reviewed: Peer Reviewed
• Volume: 6
• Issue: 50
• Pages: 34525-34531
• DOI: https://doi.org/10.1021/acsomega.1c04799
• Public URL: https://nottingham-repository.worktribe.com/output/41932489
• Publisher URL: https://pubs.acs.org/doi/10.1021/acsomega.1c04799