Correlation of the electronic structure of dihedral Ni(0) (d10) and planar Ni(II) (d8) complexes

✍ Scribed by Pierre Favre; Carl Wilhelm Schläpfer

• Book ID: 103027417
• Publisher: Elsevier Science
• Year: 1987
• Tongue: English
• Weight: 387 KB
• Volume: 139
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(87)80551-1

✦ Synopsis

Extended Htickel molecular-orbital calculations on bis-a-diimine complexes of nickel with the two ligand planes orthogonal ( DZd), coplanar ( DZh) and intermediate (D,) have been performed. Based on the character of the frontier orbitals, the oxidation state of the metal ion and the charge on the diimine ligand are assigned. The results indicate that the change of coordination from tetrahedral to square planar is connected with a formal oxidation of the nickel ion and a reduction of the Iigands. This description of the electronic structure allows a consistent assignment of the absorption spectra of the complexes which is in agreement with the interpretations of earlier spectroscopic measurements.