Abstract
We have studied a novel universal spectrochemical series of the six-coordinated octahedral 3d transition metal complexes that can be used for any combinations of the central metal atoms and the ligand molecules. The spectrochemical series for the six-coordinated octahedral metal complexes can be well explained by the energy level comparison between the metals and ligands using the DV-Xα method. The two-dimensional spectrochemical series can be applied for expecting of the ligand field splitting energy widths of not only the known compounds but also the unknown ones.
Original language | English |
---|---|
Pages (from-to) | 2734-2743 |
Number of pages | 10 |
Journal | International Journal of Quantum Chemistry |
Volume | 109 |
Issue number | 12 |
DOIs | |
Publication status | Published - 2009 Oct |
Keywords
- Coordination chemistry
- Ligand field splitting
- Metal complex
- Spectrochemical series
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry