• Title of article

    The existence and stability of the anions matching the formula (M = Li, Na, K, Be, Mg, Ca, B, Al, Ga)

  • Author/Authors

    Marchaj، نويسنده , , Marzena and Freza، نويسنده , , Sylwia and Skurski، نويسنده , , Piotr، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    7
  • From page
    15
  • To page
    21
  • Abstract
    The electronic stabilities of the MF k + 2 - anions (where M = Li, Na, K, Be, Mg, Ca, B, Al, Ga; and k is the maximal formal valence of atom M) were investigated at the OVGF/6-311 + G(3df) level. The vertical electron detachment energies (VDE) of the anions examined were found to be large (7.1–10.1 eV) albeit not significantly exceeding those for the corresponding MF k + 1 - superhalogen anions. Even though all the MF k + 2 - species studied were predicted to be both geometrically and electronically stable, some of them turned out to be thermodynamically unstable (i.e., susceptible to the F atom loss).
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2013
  • Journal title
    Chemical Physics Letters
  • Record number

    1934456