2D spectrochemical series of ML6 metal complexes for controlling the ligand field splitting

Tomohiko Ishii, Shino Tsuboi, Shohei Yukinari, Genta Sakane, Masahiro Yamashita, Brian K. Breedlove

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

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 languageEnglish
Pages (from-to)2734-2743
Number of pages10
JournalInternational Journal of Quantum Chemistry
Volume109
Issue number12
DOIs
Publication statusPublished - 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

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