• Title of article

    Is there a Co–Co bond path in Co2(CO)6(μ-CO)(μ-C4H2O2)?

  • Author/Authors

    Farrugia، نويسنده , , Louis J.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2005
  • Pages
    5
  • From page
    122
  • To page
    126
  • Abstract
    The presence of a Co–Co bond path and associated bond critical point in the density ρ(r) for the compound Co2(CO)6(μ-CO)(μ-C4H2O2) (2) has been investigated by quantum calculations on the isolated molecule at the DFT/B3LYP level, by a periodic DFT calculation on the triclinic phase of 2 and also by multipole refinement on the experimental data for the triclinic phase. In all models examined, a ring critical point is the only critical point associated with the Co–Co vector.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2005
  • Journal title
    Chemical Physics Letters
  • Record number

    1916459