• Title of article

    The ethyl cation as proton donor for dihydrogen bonds in the image (m = 1 or 2 and n = 1 or 2) complex: A theoretical study

  • Author/Authors

    Boaz G. Oliveira، نويسنده , , M?rio L.A.A. Vasconcellos، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2009
  • Pages
    3
  • From page
    1142
  • To page
    1144
  • Abstract
    BHandHLYP/6-31G(d,p) calculations and molecular integrations of the quantum theory of atoms in molecules (QTAIM) were applied to study a new class of dihydrogen-bonded complexes (image with m = 1 or 2 and n = 1 or 2) based on the assumption that earth alkaline hydride MgH2 can bind with the non-localized hydrogen H+δ of the ethyl cation image.
  • Keywords
    Hyperconjugation , Dihydrogen bonds , Ethyl cation , QTAIM
  • Journal title
    Inorganic Chemistry Communications
  • Serial Year
    2009
  • Journal title
    Inorganic Chemistry Communications
  • Record number

    1318295