Title of article :
Is hydrogen capable of playing a central atom role in superhalogen anions?
Author/Authors :
Smuczy?ska، نويسنده , , Sylwia and Skurski، نويسنده , , Piotr، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Abstract :
The vertical electron detachment energies (VDE) of FHF−, ClHCl−, BrHBr−, and H 2 F 3 - 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 H 2 F 3 - 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.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters