New Development on the Origin of Circular Dichrosim for Chiral Octahedral Metal Complexes

  • Akitsu Takashiro
    Department of Chemistry, Faculty of Science, Tokyo University of Science
  • Yamazaki Atsuo
    Department of Chemistry, Faculty of Science, Tokyo University of Science

Bibliographic Information

Other Title
  • キラル八面体型金属錯体のCDの起源の新展開
  • New Development on the Origin of Circular Dichroism for Chiral Octahedral Metal Complexes

Abstract

Time-dependent density functional theory has been successfully applied to analyze circular dichroism spectra of Δ- or Λ- octahedral metal complexes with bidentate ligands containing both s- and p-orbitals. Rotatory strengths associated with electronic transitions not only d-d transition but also ligand to metal charge transfer (LMCT) and π-π* transitions can be interpreted in terms of transition moments for excitations of metal complexes containing ligand moieties within a qualitative framework.

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Details 詳細情報について

  • CRID
    1390001205297512960
  • NII Article ID
    130000322472
  • DOI
    10.4019/bjscc.55.78
  • ISSN
    18831737
    18826954
  • Text Lang
    ja
  • Data Source
    • JaLC
    • Crossref
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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