A molecular graph M is a simple graph in which atoms and chemical bonds are the vertices and edges of M, respectively. The molecular graph M is called a fullerene graph, if M is the molecular graph of a fullerene molecule. It is well-known that such molecules exist for even integers n ≥ 24 or n = 20. The aim of this paper is to investigate the topological properties of a class of fullerene mole...

A fullerene graph is a 3 regular planar simple finite graph with pentagon or hexagon faces. In these graphs the number of pentagon faces is 12. Therefore, any fullerene graph can be characterized by number of its hexagon faces. In this note, for any h > 1, we will construct a fullerene graph with h hexagon faces. Then, using the leapfrogging process we will construct stable fullerenes with 20 +...

The molecular packing in a polymer: fullerene bimolecular crystal is determined using X-ray diffraction (XRD), molecular mechanics (MM) and molecular dynamics (MD) simulations, 2D solid-state NMR spectroscopy, and IR absorption spectroscopy. The conformation of the electron-donating polymer is significantly disrupted by the incorporation of the electron-accepting fullerene molecules, which intr...

Optical glasses doped with a fullerene mixture of C60/C70 were made in our lab. Three peaks, corresponding to C60 , C70 , and a modified fullerene ~possibly its oxide!, respectively, were found in the chromatogram of high performance liquid chromatography ~HPLC! analysis of the 0.1-wt % fullerene doped phosphate glass. Depending on the doping procedure and impurity, weak to strong interacting b...

We report on the formation of fullerene-derived nanostructures on Au(111) at room temperature and under UHV conditions. After low-energy ion sputtering of fullerene films deposited on Au(111), bright spots appear at the herringbone corner sites when measured using a scanning tunneling microscope. These features are stable at room temperature against diffusion on the surface. We carry out DFT ca...

A fullerene graph is a cubic 3-connected plane graph with (exactly 12) pentagonal faces and hexagonal faces. Let Fn be a fullerene graph with n vertices. A set H of mutually disjoint hexagons of Fn is a sextet pattern if Fn has a perfect matching which alternates on and off each hexagon in H. The maximum cardinality of sextet patterns of Fn is the Clar number of Fn. It was shown that the Clar n...

Porphyrin-based photosynthetic reaction centre (PRC) mimics, ZnPQ-Q2HP-C60 and MP2Q-Q2HP-C60 (M = Zn or 2H), designed to have a similar special-pair electron donor and similar charge-separation distances, redox processes and photochemical reaction rates to those in the natural PRC from purple bacteria, have been synthesised and extensive photochemical studies performed. Mechanisms of electron-t...

The extraordinary electrochemistry and the tunability of their energy levels allows the use of fulleropyrazolines in photovoltaics and charge-transfer systems. Here we show that substitution in position 1 tunes photolytic stability; electron-donating groups facilitate 1,3-dipolar cycloreversion to fullerene. This discovery has implications not only for photovoltaic stability but also highlights...

Fullerene C60 derivatives covalently linked to a nitroxide radical are studied by Time Resolved EPR. The interaction between radical and triplet or singlet excitation, localized on the fullerene moiety, gives rise to spin polarization of the radical EPR signal. The quartet state of the Radical Triplet Pair (RTP) is also observed by EPR. Electron transfer involving the excited fullerene triplet ...