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Supramolecular complexation of C60 and C70 by helical nanographene incorporating N-heterotriangulene and hexabenzocoronene subunits

Supramolecular host-guest complexes are studied in the gas-phase evaluating a new host molecule for fullerenes (C60 and C70). The new host molecule is a double N-heterotriangulene-[5]helicene (NTH), consisting of two N-heterotriangulene (N-HTA) blades embedded into a hexabenzocoronene-like backbone...

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Bibliographic Details
Main Authors: Kinzelmann, Marina (Author) , Fröhlich, Nina (Author) , Gnannt, Frederik (Author) , Borstelmann, Jan (Author) , Frühwald, Stefan (Author) , Oleszak, Christoph (Author) , Jux, Norbert (Author) , Görling, Andreas (Author) , Kivala, Milan (Author) , Drewello, Thomas (Author)
Format: Article (Journal)
Language:English
Published: [31 Jan 2025]
In: RSC Advances
Year: 2025, Volume: 15, Issue: 5, Pages: 3250-3258
ISSN:2046-2069
DOI:10.1039/D4RA07837C
Online Access:Verlag, kostenfrei, Volltext: https://doi.org/10.1039/D4RA07837C
Verlag, kostenfrei, Volltext: https://pubs.rsc.org/en/content/articlelanding/2025/ra/d4ra07837c
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Author Notes:Marina Kinzelmann, Nina Fröhlich, Frederik Gnannt, Jan Borstelmann, Stefan Frühwald, Christoph Oleszak, Norbert Jux, Andreas Görling, Milan Kivala and Thomas Drewello
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Summary:Supramolecular host-guest complexes are studied in the gas-phase evaluating a new host molecule for fullerenes (C60 and C70). The new host molecule is a double N-heterotriangulene-[5]helicene (NTH), consisting of two N-heterotriangulene (N-HTA) blades embedded into a hexabenzocoronene-like backbone with helically curved topology. Host-guest complexes of [1:1]+˙/2+, [1:2]+˙/2+, [2:1]2+ and [2:3]2+ stoichiometry and charge state are formed by electrospray ionization-mass spectrometry (ESI-MS). Ion formation occurs through electrochemical oxidation of the N-HTA moieties. Energy-resolved collision-induced dissociation (ER-CID) experiments reveal the noncovalent binding of the fullerenes to the NTH molecule and provide an order of stability for the complexes. Density-functional theory (DFT) calculations establish the lowest energy geometries of the complexes.
Item Description:Gesehen am 24.07.2025
Physical Description:Online Resource
ISSN:2046-2069
DOI:10.1039/D4RA07837C

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