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https://www.um.edu.mt/library/oar/handle/123456789/107943
Title: | Zooming in on fullerenes |
Authors: | Sciriha, Irene Fowler, Patrick W. |
Keywords: | Fullerenes -- Properties Molecular orbitals -- Mathematical models Polyhedra -- Data processing Schrödinger equation |
Issue Date: | 2005 |
Publisher: | Malta Chamber of Scientists |
Citation: | Sciriha, I., & Fowler, P. W. (2005). Zooming in on fullerenes. Xjenza, 10, 8-10. |
Abstract: | Carbon does not appear only as diamond and graphite. Fullerenes, forming a third family of allotropes of carbon (C), exist as large stable clusters of C atoms. A trivalent polyhedron P is a cubic graph which may be embedded on a convex 3-D surface of genus zero and a fullerene, Cn, is P with twelve pentagons, the remaining faces being hexagons. We introduce the concept of nut fullerenes, so called because their skeleton is a nut graph that implies one NBO with the charge contributed by the NBO electron being shared among all the C-centres. The charge distribution over all the framework of the molecule has strong chemical consequences. We study the substructures in fullerenes and other trivalent polyhedra, that determine the presence of a NBO. Together with the symmetry group of the graph, they shed new light on singular graphs and polyhedra in particular. |
URI: | https://www.um.edu.mt/library/oar/handle/123456789/107943 |
ISSN: | 18187269 |
Appears in Collections: | Scholarly Works - FacSciMat |
Files in This Item:
File | Description | Size | Format | |
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Zooming in on fullerenes 2005.pdf | 201.28 kB | Adobe PDF | View/Open |
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