Fullerenes as polyradicals

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Fullerenes as polyradicals

Electronic structure of X60 molecules (X=C, Si) is considered in terms of 60 odd electrons and spin-dependent interaction between them. Conditions for the electrons to be excluded from the covalent pairing are discussed. A computational spin-polarized quantumchemical scheme is suggested to evaluate four parameters (energy of radicalization, exchange integral, atom spin density, and squared spin...

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If a fullerene is defined as a finite trivalent graph made up solely of pentagons and hexagons, embedding in only four surfaces is possible: the sphere, torus, Klein bottle, and projective (elliptic) plane. The usual spherical fullerenes have 12 pentagons; elliptic fullerenes, 6; and toroidal and Klein-bottle fullerenes, none. Klein-bottle and elliptic fullerenes are the antipodal quotients of ...

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Fullerenes as the carriers of compounds with amide bond.

Fullerenes are molecules created solely of carbon and have a highly unusual attributes. The smallest structure in the fullerene family is conformation C20, which consists of pentagonal rings only, resulting in its instability. The C60 is the first fullerene containing 12 pentagonal and 20 hexagonal rings in which pentagons do not share an edge. It results in good stability of the carbon cage. T...

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ژورنال

عنوان ژورنال: Open Physics

سال: 2004

ISSN: 2391-5471

DOI: 10.2478/bf02476279