Modellrechnungen an Hexacyanoferraten und Pentacyanoferraten mit stickstoff haltigen aromatischen Liganden
✍ Scribed by Gion Calzaferri; Franz Felix
- Book ID
- 102857855
- Publisher
- John Wiley and Sons
- Year
- 1977
- Tongue
- German
- Weight
- 566 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0018-019X
No coin nor oath required. For personal study only.
✦ Synopsis
Model Calculations on Hexacyano‐ and Pentacyanoferrate Complexes with Aromatic Nitrogen Heterocycles
Using the extended Hückel method, theoretically predicted chemical, photochemical and spectroscopic properties of these complexes are compared with experimental data. A better understanding of the photochemistry is attempted by analysis of the low energy CT absorption. Starting from the amminopentacyanoferrate the spectroscopic properties of the pentacyanoferrate complexes with aromatic heterocycles are described by adding the ‘d‐π*’ MLCT and the π‐π* transitions. The results obtained on the mononuclear pyrazine compounds suggest a very simple way to understand the binuclear pyrazine complexes. Some properties of the hexacyanoferrates can be better explained if all valence orbitals of the ligands are considered. In all examples the influence of the ‘π‐backbonding’ is discussed.