• Title of article

    Methyl transfer reaction between MeI and Ni(PPh2CH2CH2SEt)2 complex. A DFT study

  • Author/Authors

    Patrycja Sitek، نويسنده , , Maria Jaworska، نويسنده , , Piotr Lodowski، نويسنده , , Aleksandra Chmielowska، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2013
  • Pages
    5
  • From page
    65
  • To page
    69
  • Abstract
    Density functional theory (DFT/BP86) and the Polarizable Continuum Model (PCM/acetonitrile) for solvation have been applied to investigate the methyl transfer reaction from CH3I to Ni(PPh2CH2CH2SEt)2. Two different mechanisms were considered: SN2 and radical one. The reaction paths for both examined mechanism were determined, and the geometries of possible substrates and products were compared.
  • Keywords
    nickel , SN2 , DFT , Methyl transfer , Radical mechanism
  • Journal title
    Inorganic Chemistry Communications
  • Serial Year
    2013
  • Journal title
    Inorganic Chemistry Communications
  • Record number

    1319790

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1319790