Theoretical Evidence of Aromaticity in X 3 − (X = B, Al, Ga) Species
作者： Aleksey E. Kuznetsov , Alexander I. Boldyrev
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摘要: We investigated the electronic structure and chemical bonding of B3−, Al3−, Ga3− anions, gas phase NaB3, NaAl3, NaGa3 molecules. found that ground state neutral salts contains an equilateral triangular anion interacting with a Na+ cation. The anions possess two delocalized π electrons are to be aromatic. have been shown related recently synthesized organometallic compound containing aromatic -Ga32− unit, but they differ from them by four valence electrons. reason for earlier appearance π-orbital in is discussed.
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