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

研究成果: Article査読

2 被引用数 (Scopus)

抄録

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.

本文言語English
ページ(範囲)2734-2743
ページ数10
ジャーナルInternational Journal of Quantum Chemistry
109
12
DOI
出版ステータスPublished - 2009 10

ASJC Scopus subject areas

  • 原子分子物理学および光学
  • 凝縮系物理学
  • 物理化学および理論化学

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