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Adsorption structure of iron phthalocyanine and titanyl phthalocyanine on Cu(1 1 1)

Stoodley, Matthew A.; Klein, Benedikt P.; Clarke, Michael; Williams, Leon B.S.; Rochford, Luke A.; Ferrer, Pilar; Grinter, David C.; Saywell, Alex; Duncan, David A.

Adsorption structure of iron phthalocyanine and titanyl phthalocyanine on Cu(1 1 1) Thumbnail


Authors

Matthew A. Stoodley

Benedikt P. Klein

Michael Clarke

Leon B.S. Williams

Luke A. Rochford

Pilar Ferrer

David C. Grinter

David A. Duncan



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.

Journal Article Type Article
Acceptance Date Jul 7, 2023
Online Publication Date Jul 8, 2023
Publication Date Nov 1, 2023
Deposit Date Jul 20, 2023
Publicly Available Date Jul 20, 2023
Journal Inorganica Chimica Acta
Print ISSN 0020-1693
Publisher Elsevier BV
Peer Reviewed Peer Reviewed
Volume 557
Article Number 121679
DOI https://doi.org/10.1016/j.ica.2023.121679
Keywords Quantitative structure determination; X-ray standing waves; Near-edge X-ray absorption fine structure; Synchrotron radiation; Soft X-ray photoelectron spectroscopy
Public URL https://nottingham-repository.worktribe.com/output/23215402
Publisher URL https://www.sciencedirect.com/science/article/pii/S0020169323003043?via%3Dihub

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