The scope of a lantern-shaped, triptycene-based Pd2L4 coordination cage to encapsulate various carbon-rich guests was investigated. found bind two molecules corannulene and variety C60 derivatives in moderate quantitative yields. Non-disruptive extraction encapsulated fullerene derivative PC61BM from the demonstrated by simple addition CS2 into an acetonitrile solution host–guest complex. This ...

Unprecedented supramolecular stacks of highly reduced geodesic pi-systems were prepared by the reduction of the derivatized fullerenes Me(5)C(60)H and Ph(5)C(60)H and corannulene with lithium metal (R(5)C(60)(5)(-)/Cor(4)(-)/9Li(+)). The host--guest assemblies form because of the enhanced electrostatic interactions between the lithium cations and the anionic moieties, in addition to the structu...

Supramolecular interactions between molecules of the same or different nature determine to a great extent degree their applicability in many fields science. To this regard, planar polycyclic aromatic hydrocarbons (PAHs) and nanometric congeners, nanographenes (NGs), as well positively curved ones, for instance corannulene, have been extensively explored. However, negatively saddle-shaped NGs re...

The hydrogen-abstraction/acetylene-addition mechanism has been fundamental to unravelling the synthesis of polycyclic aromatic hydrocarbons (PAHs) detected in combustion flames and carbonaceous meteorites like Orgueil and Murchison. However, the fundamental reaction pathways accounting for the synthesis of complex PAHs, such as the tricyclic anthracene and phenanthrene along with their dihydrog...

The dispersion corrected B97-D functional studies find a previously overlooked conformer of the buckycatcher C(60)H(28) (2) exhibiting intramolecular pi-pi stacking of its corannulene pincers to represent a global potential energy minimum conformation. B97-D/TZVP calculated geometry of C(60)@2 supramolecular assembly is in excellent agreement with the X-ray structure, slightly better than the p...

The structural, electronic, bonding and magnetotropic properties of inclusion compounds formed upon interaction of cerium monoxide, CeO, with buckybowls (quadrannulene, C(31)H(16), corannulene, C(20)H(10) and sumanene, C(21)H(12)) have been investigated by DFT calculations. For the sake of comparison the structural, electronic, bonding and magnetotropic spectroscopic properties of related annul...