Supramolecular complexation of C and C by helical nanographene incorporating -heterotriangulene and hexabenzocoronene subunits.

Supramolecular host-guest complexes are studied in the gas-phase evaluating a new host molecule for fullerenes (C and C). The new host molecule is a double -heterotriangulene-[5]helicene (NTH), consisting of two -heterotriangulene (-HTA) blades embedded into a hexabenzocoronene-like backbone with helically curved topology. Host-guest complexes of [1:1]˙, [1:2]˙, [2:1] and [2:3] stoichiometry and charge state are formed by electrospray ionization-mass spectrometry (ESI-MS). Ion formation occurs through electrochemical oxidation of the -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.