Ligand Field Splitting of Octahedral Metal Complexes

Yukinari, Shohei; Tsuboi, Shino; Ishii, Tomohiko; Sakane, Genta

配位子場分裂
It is widely known that the various solid state properties of metal complexes such as the conductivity, magnetic behavior and the optical absorption due to the ligand field splitting of the metal's d-electron.  The ligand field splitting Δo of the metal complexes depends on the metal ion, ligand molecule and the coordinating condition.  Therefore the physical properties can be controlled by changing the ligand field splitting continuously.  In this study, we investigate the typical solid state properties such as the spin states by means of DV-Xα molecular orbital calculation in order to clarify the relationship with the ligand field splitting by changing the environment of the ligand and the metal ion of the metal complexes (ML6).

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

21

1&2

289

294