Ionization Modeling of Buckyball C70

Author(s): M. R. Vargas , J. D. Santos , D. S. Lemelle , C. A. Taft , E. Longo .

Journal Name: Current Physical Chemistry

Volume 4 , Issue 1 , 2014

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Abstract:

The fullerenes are of considerable theoretical and experimental interest indicating numerous optical and electrical properties with many important potential technological applications. The transfer and withdrawal of electrons from the neutral species of C70 results in redistribution of charges, modifications of multiplicities, electronic energy levels and their band gaps. We use semi-empirical and ab initio methods to investigate the energy levels and stability of C70 as a function of charge and multiplicity.

Keywords: Fullerenes, C70, stability.

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Article Details

VOLUME: 4
ISSUE: 1
Year: 2014
Page: [87 - 93]
Pages: 7
DOI: 10.2174/18779468113036660027

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