• Title of article

    Theoretical characterisation of the origin of symmetry distortions in TpCuCl complexes

  • Author/Authors

    Lourdes Cucurull-Sanchez، نويسنده , , Feliu Maseras، نويسنده , , Agust?? Lled?s، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2000
  • Pages
    4
  • From page
    590
  • To page
    593
  • Abstract
    IMOMM(Becke3LYP:MM3) calculations on the [TptBu]CuCl and [TptBu,Me]CuCl complexes show that the non-symmetrical arrangement observed around the Cu(II) centre is essentially controlled by a Jahn–Teller effect, and rather independent of the sterical demands of the particular tris(pyrazolyl)borate ligands.
  • Keywords
    Jahn–Teller distortion , Hybrid calculations , copper , Pyrazolylborates
  • Journal title
    Inorganic Chemistry Communications
  • Serial Year
    2000
  • Journal title
    Inorganic Chemistry Communications
  • Record number

    1314944

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=1314944