Conference paper

Calculated »London« π-Electron Magnetic-Properties of Some Carbon-Atom Fragments Extant on the Surface of Icosahedral C₆₀ (Buckminsterfullerene)

Branca R. M. de Castro ; Departamento de Quimica, Universidade do Porto, Faculdade de Cièncias, 4000 Porto, Portugal
José A. N. F. Gomes ; Departamento de Quimica, Universidade do Porto, Faculdade de Cièncias, 4000 Porto, Portugal
Roger B. Mallion ; The King’s School, Canterbury, Kent, CT1 2ES, England, United Kingdom

Abstract

Semi-empirical calculations, of varying degrees of sophistication, are effected in order to predict the »London« jr-electron magnetic-properties of several carbon-atom fragments - some large, some small - that are extant on the spherical surface of the truncated-icosahedral C6o cluster known as Buckminsterfullerene. Calculations by the least-approximate of the methods that have been applied predict every one of the Buckminsterfullerene fragments studied to display »London« jr-electron magnetic-properties that are, overall, diamagnetic - to the extent of between ca. 1/3 of, and ca. 5 times, the benzene value.

Keywords

Hrčak ID:

137082

URI

https://hrcak.srce.hr/137082

Publication date:

1.6.1993.

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