Structural Chemistry

, Volume 13, Issue 2, pp 141–148 | Cite as

Theoretical Evidence of Aromaticity in X3 (X = B, Al, Ga) Species

  • Aleksey E. Kuznetsov
  • Alexander I. Boldyrev
Article

Abstract

We investigated the electronic structure and chemical bonding of the B3, Al3, and Ga3 anions, and the gas phase NaB3, NaAl3, and NaGa3 molecules. We found that the ground state of the neutral gas phase salts contains an equilateral triangular anion interacting with a Na+ cation. The B3, Al3, and Ga3 anions possess two delocalized π electrons and are found to be aromatic. The triangular anions have been shown to be related to recently synthesized organometallic compound containing an aromatic -Ga32− unit, but they are differ from them by four valence electrons. The reason for earlier appearance of the π-orbital in the B3, Al3, and Ga3 anions is discussed.

Aromaticity metal clusters B3, Al3, Ga3 anions NaB3, NaAl3, and NaGa3 salt molecules 

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Copyright information

© Plenum Publishing Corporation 2002

Authors and Affiliations

  • Aleksey E. Kuznetsov
    • 1
  • Alexander I. Boldyrev
    • 1
  1. 1.Department of Chemistry and BiochemistryUtah State UniversityLogan

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