• Title of article

    Do nonmetallic superalkali cations exist?

  • Author/Authors

    Hou، نويسنده , , Na and Li، نويسنده , , Ying and Wu، نويسنده , , Di and Li، نويسنده , , Zhi-Ru، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    4
  • From page
    32
  • To page
    35
  • Abstract
    In order to explore the possibility of using hydrogen atoms as ligands in creating superalkalies, a systematic investigation on the F 2 H 3 + , O 2 H 5 + , N 2 H 7 + and C 2 H 9 + cations has been carried out. These nonmetallic cations have pretty low electron affinities (EA) of 3.55–4.48 eV at the OVGF/6-311++G(3df, 3pd) level, and hence should be classified as superalkali cations. It is also worth mentioning that the weakly bound N 2 H 7 + and C 2 H 9 + cations exhibit even lower EA values than the ionization potential of Cs atom. In addition, the positive fragmentation energies indicate the stabilities of these cation species with respect to dissociation.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2013
  • Journal title
    Chemical Physics Letters
  • Record number

    1935012