2-Resonant fullerenes

A fullerene graph $F$ is a planar cubic graph with exactly 12 pentagonal faces and other hexagonal faces. A set $\mathcal{H}$ of disjoint hexagons of $F$ is called a resonant pattern (or sextet pattern) if $F$ has a perfect matching $M$ such that every hexagon in $\mathcal{H}$ is $M$-alternating. $F$ is said to be $k$-resonant if any $i$ ($0\leq i\leq k$) disjoint hexagons of $F$ form a resonant pattern. It was known that each fullerene graph is 1-resonant and all 3-resonant fullerenes are only the nine graphs. In this paper, we show that the fullerene graphs which do not contain the subgraph $L$ or $R$ as illustrated in Fig. 1 are 2-resonant except for the specific eleven graphs. This result implies that each IPR fullerene is 2-resonant.Comment: 34 pages, 25 figure

Towards a fullerene-based quantum computer

Molecular structures appear to be natural candidates for a quantum technology: individual atoms can support quantum superpositions for long periods, and such atoms can in principle be embedded in a permanent molecular scaffolding to form an array. This would be true nanotechnology, with dimensions of order of a nanometre. However, the challenges of realising such a vision are immense. One must identify a suitable elementary unit and demonstrate its merits for qubit storage and manipulation, including input / output. These units must then be formed into large arrays corresponding to an functional quantum architecture, including a mechanism for gate operations. Here we report our efforts, both experimental and theoretical, to create such a technology based on endohedral fullerenes or 'buckyballs'. We describe our successes with respect to these criteria, along with the obstacles we are currently facing and the questions that remain to be addressed.Comment: 20 pages, 13 figs, single column forma

Confinement resonances in photoionization of endohedral atoms: a myth or reality?

We demonstrate that the structure of confinement resonances in the photoionization cross section of an endohedral atom is very sensitive to the mean displacement of the atom from the cage center. The resonances are strongly suppressed if 2 exceeds the photoelectron half-wavelength. We explain the results of recent experiments which contradict the earlier theoretical predictions on the existence of confinement resonances in particular endohedral systems.Comment: 4 pages, 5 figures, RevTe

The topology of fullerenes

Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a number of chemical properties of a fullerene can be derived from its graph structure. A rich mathematics of cubic planar graphs and fullerene graphs has grown since they were studied by Goldberg, Coxeter, and others in the early 20th century, and many mathematical properties of fullerenes have found simple and beautiful solutions. Yet many interesting chemical and mathematical problems in the field remain open. In this paper, we present a general overview of recent topological and graph theoretical developments in fullerene research over the past two decades, describing both solved and open problems. WIREs Comput Mol Sci 2015, 5:96–145. doi: 10.1002/wcms.1207 Conflict of interest: The authors have declared no conflicts of interest for this article. For further resources related to this article, please visit the WIREs website