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

Kinzelmann M, Fröhlich N, Gnannt F, Borstelmann J, Frühwald S, Oleszak C, Jux N, Görling A, Kivala M, Drewello T (2025)

Publication Type: Journal article

Publication year: 2025

Journal

RSC Advances Royal Society of Chemistry

Book Volume: 15

Pages Range: 3250-3258

Journal Issue: 5

DOI: 10.1039/d4ra07837c

Abstract

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]+c/2+, [1:2]+c/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.

Authors with CRIS profile

Marina Kinzelmann Sonderforschungsbereich 953/3 Synthetische Kohlenstoffallotrope Nina Fröhlich Lehrstuhl für Organische Chemie I Frederik Gnannt Lehrstuhl für Organische Chemie I Stefan Frühwald Lehrstuhl für Theoretische Chemie Christoph Oleszak Lehrstuhl für Organische Chemie II Norbert Jux Interdisziplinäres Zentrum für Molekulare Materialien (ICMM) Andreas Görling Lehrstuhl für Theoretische Chemie Thomas Drewello Professur für Physikalische Chemie

Involved external institutions

Ruprecht-Karls-Universität Heidelberg DE Germany (DE)

How to cite

APA:

Kinzelmann, M., Fröhlich, N., Gnannt, F., Borstelmann, J., Frühwald, S., Oleszak, C.,... Drewello, T. (2025). Supramolecular complexation of C60 and C70 by helical nanographene incorporating N-heterotriangulene and hexabenzocoronene subunits. RSC Advances, 15(5), 3250-3258. https://doi.org/10.1039/d4ra07837c

MLA:

Kinzelmann, Marina, et al. "Supramolecular complexation of C60 and C70 by helical nanographene incorporating N-heterotriangulene and hexabenzocoronene subunits." RSC Advances 15.5 (2025): 3250-3258.

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