"Inverted" porphyrins: a distorted adsorption geometry of free-base porphyrins on Cu(111). Issue 58 (6th July 2017)

• Record Type: Journal Article
• Authors: Lepper, Michael; Köbl, Julia; Schmitt, Tobias; Gurrath, Martin; de Siervo, Abner; Schneider, M. Alexander; Steinrück, Hans-Peter; Meyer, Bernd; Marbach, Hubertus; Hieringer, Wolfgang
• Is Part Of: Chemical communications. Volume 53:Issue 58(2017)
• Page Start: 8207
• Page End: 8210
• Publication Date: 2017-07-06
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1039/c7cc04182a
• Languages: English
• ISSNs: 1359-7345

Abstract

Abstract : Peculiar "inverted" intramolecular conformation of a free-base porphyrin due to specific attractive molecule–substrate interaction. Abstract : 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.