"Inverted" porphyrins: a distorted adsorption geometry of free-base porphyrins on Cu(111)

Based on density functional theory calculations combined with experimental results, we report and discuss an extremely distorted, "inverted" adsorption geometry of free-base tetraphenylporphyrin on Cu(111). The current findings yield new insights into a well-studied system, shedding light...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2017-07, Vol.53 (58), p.8207-8210
Main Authors: Lepper, Michael, Köbl, Julia, Schmitt, Tobias, Gurrath, Martin, de Siervo, Abner, Schneider, M Alexander, Steinrück, Hans-Peter, Meyer, Bernd, Marbach, Hubertus, Hieringer, Wolfgang
Format: Article
Language:English
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Summary:Based on density functional theory calculations combined with experimental results, we report and discuss an extremely distorted, "inverted" adsorption geometry of free-base tetraphenylporphyrin on Cu(111). The current findings yield new insights into a well-studied system, shedding light on the peculiar molecule-substrate interaction and the resulting intramolecular conformation.
ISSN:1359-7345
1364-548X
DOI:10.1039/c7cc04182a