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• W2091244978 abstract "The bonding and the temperature-driven metalation of 2H-tetraphenylporphyrin (2H-TPP) on the Cu(111) surface under ultrahigh vacuum conditions were investigated by a combination of x-ray photoelectron spectroscopy (XPS) and near-edge x-ray absorption fine structure (NEXAFS) spectroscopy with density functional theory calculations. Thin films were prepared by organic molecular beam epitaxy and subsequent annealing. Our systematic study provides an understanding of the changes of the spectroscopic signature during adsorption and metalation. Specifically, we achieved a detailed peak assignment of the 2H-TPP multilayer data of the C1s and the N1s region. After annealing to 420 K both XPS and NEXAFS show the signatures of a metalloporphyrin, which indicates self-metalation at the porphyrin-substrate interface, resulting in Cu-TPP. Furthermore, for 2H-TPP monolayer samples we show how the strong influence of the copper surface is reflected in the spectroscopic signatures. Adsorption results in a strongly deformed macrocycle and a quenching of the first NEXAFS resonance in the nitrogen edge suggesting electron transfer into the LUMO. For Cu-TPP the spectroscopic data indicate a reduced interaction of first-layer molecules with the substrate as demonstrated by the relaxed macrocycle geometry." @default.
• W2091244978 created "2016-06-24" @default.
• W2091244978 creator A5037147928 @default.
• W2091244978 creator A5053168822 @default.
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• W2091244978 creator A5064307923 @default.
• W2091244978 creator A5080388468 @default.
• W2091244978 creator A5081873841 @default.
• W2091244978 date "2012-01-06" @default.
• W2091244978 modified "2023-10-08" @default.
• W2091244978 title "Self-metalation of 2H-tetraphenylporphyrin on Cu(111): An x-ray spectroscopy study" @default.
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