화학공학소재연구정보센터
Chemical Physics Letters, Vol.443, No.4-6, 190-193, 2007
Is hydrogen capable of playing a central atom role in superhalogen anions?
The vertical electron detachment energies (VDE) of FHF-, ClHCl-, BrHBr-, and H2F3- anions were calculated at the outer valence Green function level with the aug-cc-pVTZ basis sets. Relatively large electron binding energies of these anions (approaching 8 eV in the case of H2F3- anion) were predicted and discussed. It was proposed the hydrogen atoms may act as central atoms in these species, analogously to metal atoms in mono- and polynuclear superhalogen anions. (C) 2007 Elsevier B.V. All rights reserved.