| Abstract
| - The vertical electron detachment energies (VDEs) of 30 MX4− (M = B, Al; X = F, Cl, Br) anions were calculated at the OVGF level with the 6-311+G(3df) basis sets. The largest vertical electron binding energy was found for the AlF4− system (9.789 eV). The strong VDE dependence on the symmetry of the species, ligand type, ligand−central atom distance, and bonding/nonbonding/antibonding character of the highest occupied molecular orbital was observed and discussed.
- The vertical electron detachment energies of 30 MX4− (M = B, Al; X = F, Cl, Br) anions were calculated at the OVGF level with the 6-311+G(3df) basis sets. The largest vertical electron binding energy was found for the AlF4− system (9.789 eV), and the corresponding highest occupied molecular orbital of the Td-symmetry AlF4− superhalogen anion is shown.
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