Fingerprints of antiaromaticity in the negative ion (Li3Al4)− via an ab initio quantum-chemical study of the equilibrium structure of the inhomogeneous electron liquid

@article{Grassi2014FingerprintsOA,
  title={Fingerprints of antiaromaticity in the negative ion (Li3Al4)− via an ab initio quantum-chemical study of the equilibrium structure of the inhomogeneous electron liquid},
  author={Antonio Grassi and Giuseppe Lombardo and Giuseppe G. N. Angilella and Norman H. March and Renato Pucci and Douglas J. Klein and Alexandru T. Balaban},
  journal={Physics and Chemistry of Liquids},
  year={2014},
  volume={52},
  pages={354 - 360}
}
Fingerprints of antiaromaticity in the negative ion (Li3Al4)−, this species being realisable via a laser vaporisation technique, are revealed by means of an ab initio quantum-chemical investigation. First, the ground-state equilibrium geometry of this ion is predicted. Also, for the corresponding inhomogeneous electron liquid, the characteristics of the HOMO are studied, both for the square and the rectangular Al4 geometry in two low-lying isomers of the negative ion. There is no particular… 
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