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Electronic properties of inorganic benzenes

The electric properties of C3Si3H6, C3Ge3H6, Si6H6, Si3Ge3H6 and Ge6H6 have been studied using MNDO, AM1 and PM3-type calculations. PM3 was found to give the best description of the electronic structure of these inorganic benzenes. Substituting benzene carbons by silicon or germanium atoms enhances the electric properties of the ring. For instance, the ? second-order hyperpolarizability value for Ge6H6 is fifty times that of benzene.

  • Content Type Journal Article
  • Pages 339-345
  • DOI 10.1007/BF01004015
  • Authors
    • D. Hammoutene, Laboratoire de Chimie Théorique USTHB El Alia 16111 Bab Ezzouar BP31 Algiers Algeria
    • G. Boucekkine, Laboratoire de Chimie Théorique USTHB El Alia 16111 Bab Ezzouar BP31 Algiers Algeria
    • A. Boucekkine, Laboratoire de Chimie Théorique USTHB El Alia 16111 Bab Ezzouar BP31 Algiers Algeria
    • G. Berthier, Laboratoire d'Optique Appliquée, Ecole Polytechnique ENSTA 91120 Palaiseau France
    • Journal Molecular Engineering
    • Online ISSN 1572-8951
    • Print ISSN 0925-5125
    • Journal Volume Volume 5
    • Journal Issue Volume 5, Number 4

Authors:   D. Hammoutene, G. Boucekkine, A. Boucekkine, G. Berthier
Journal:   Molecular Engineering
Year:   2005
DOI:   10.1007/BF01004015
Publication date:   02-Mar-2005
Facts, background information, dossiers
  • France
  • Algeria
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