Are closed clusters expected from the (n + 1) skeletal electron pairs rule in alanes and gallanes? A DFT structural study of AnHn + 2 (A = Al, Ga, and n = 4–6)

@inproceedings{Maatallah2011AreCC,
  title={Are closed clusters expected from the (n + 1) skeletal electron pairs rule in alanes and gallanes? A DFT structural study of AnHn + 2 (A = Al, Ga, and n = 4–6)},
  author={Mohamed Maatallah and Driss Cherqaoui and Abdellah Jarid and Joel F. Liebman},
  year={2011}
}
Abstract It has been suggested recently that the alanes AlnHn + 2 can be treated by the polyhedral skeletal electron pair theory (PSEPT) of Wade and Mingos (W–M) as it was successful for their borane congeners such as BnHn + 2, well known as the deprotonated BnHn2−. To do so, the neutral AlnHn + 2 have been considered as AlnHn2− + 2H+. The additional hydrogens donate their electrons to the AlnHn polyhedral framework and according to the n + 1 electron pairs rule; these clusters should have… CONTINUE READING