Stoodley, Matthew, Klein, Benedikt P., Clarke, Michael, Williams, Leon B. S., Rochford, Luke A., Ferrer, Pilar, Grinter, David C., Saywell, Alex and Duncan, David A. (2023) Adsorption structure of iron phthalocyanine and titanyl phthalocyanine on Cu(1 1 1). Inorganica Chimica Acta, 557 . 121679. doi:10.1016/j.ica.2023.121679 ISSN 0020-1693.
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Abstract
The adsorption structure of iron phthalocyanine (FePc) and titanyl phthalocyanine (TiOPc) was studied by a combination of near edge X-ray absorption fine structure (NEXAFS) spectroscopy and normal incidence X-ray standing waves (NIXSW) technique. The FePc results demonstrate that the molecule adsorbs with the Fe metal centre at an adsorption height of 2.44 ± 0.09 Å, its macrocycle plane mostly parallel with the underlying surface and a single adsorption configuration. However, a small distortion of the isoindole groups, with respect to one another, is required to rationalise the results. The TiOPc results similarly indicate that the macrocycle plane is mostly parallel with the underlying surface up to thick multilayer films, yet, in the monolayer regime, the molecule must adsorb in multiple configurations. These configurations are nominally assigned to a mixture of adsorption configurations with some Ti=O bonds pointing towards the surface, and some pointing away. We determine that, in both configurations, the Ti metal centre sits at a similar adsorption height above the surface of 3.00 ± 0.20 Å.
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry |
| Library of Congress Subject Headings (LCSH): | Absorption spectra, Standing waves, Surface extended X-ray absorption fine structure, Synchrotron radiation , Tetrapyrroles, Phthalocyanines -- Absorption and adsorption |
| Journal or Publication Title: | Inorganica Chimica Acta |
| Publisher: | Elsevier Science SA |
| ISSN: | 0020-1693 |
| Official Date: | 1 November 2023 |
| Dates: | Date Event 1 November 2023 Published 8 July 2023 Available 7 July 2023 Accepted |
| Volume: | 557 |
| Article Number: | 121679 |
| DOI: | 10.1016/j.ica.2023.121679 |
| Status: | Peer Reviewed |
| Publication Status: | Published |
| Date of first compliant deposit: | 20 September 2023 |
| Date of first compliant Open Access: | 20 September 2023 |
| RIOXX Funder/Project Grant: | Project/Grant ID RIOXX Funder Name Funder ID MI&A Doctoral Training Programme [EPSRC] Engineering and Physical Sciences Research Council |
| URI: | https://wrap.warwick.ac.uk/179447/ |
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