Room Temperature Metalation of 2H-TPP Monolayer on Iron and Nickel Surfaces by Picking up Substrate Metal Atoms

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• 作者：Andrea Goldoni ; Carlo A. Pignedoli ; Giovanni Di Santo ; Carla Castellarin-Cudia ; Elena Magnano ; Federica Bondino ; Alberto Verdini ; Daniele Passerone
• 刊名：ACS Nano
• 出版年：2012
• 出版时间：December 21, 2012
• 年：2012
• 卷：6
• 期：12
• 页码：10800-10807
• 全文大小：442K
• 年卷期：v.6,no.12(December 21, 2012)
• ISSN：1936-086X

文摘

Here, it is demonstrated, using high-resolution X-ray spectroscopy and density functional theory calculations, that 2H-tetraphenyl porphyrins metalate at room temperature by incorporating a surface metal atom when a (sub)monolayer is deposited on 3d magnetic substrates, such as Fe(110) and Ni(111). The calculations demonstrate that the redox metalation reaction would be exothermic when occurring on a Ni(111) substrate with an energy gain of 0.89 eV upon embedding a Ni adatom in the macrocycle. This is a novel way to form, via chemical modification and supramolecular engineering, 3d-metal鈥搊rganic networks on magnetic substrates with an intimate bond between the macrocycle molecular metal ion and the substrate atoms. The achievement of a complete metalation by Fe and Ni can be regarded as a test case for successful preparation of spintronic devices by means of molecular-based magnets and inorganic magnetic substrates.

Keywords:

porphyrins; interfaces; X-ray spectroscopy; surface chemistry; density functional calculations