金属錯体における配位子場分裂の自由自在制御

石井知彦, 松嶋領, 岩倉正訓, 渡邉僚介, 濱野一弘, 瀬尾浩美, 小笠原一禎, 坂根弦太

DV-Xα法, 配位子場, 田辺・菅野ダイアグラム, 金属錯体
Physical and chemical properties of a metal complex can be changed drastically by changing a combination of a central metal ion and a surrounding ligand molecule, resulting a changing of a ligand field splitting and a spin multiplet energy.  We create a novel spectrochemical series in order to investigate the changing of the ligand field splitting by changing a combination of the central metal ion and a ligand molecule.  In addition, a novel Tanabe-Sugano diagram have also been created in order to compare the changing of a spin multiplet energy by changing the combination.  These two novel phase diagrams should be very important to synthesize a new functional metal complex.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

26

1&2

66

72