分光化学系列と田辺・菅野ダイヤグラムの電子論的解釈

松嶋領, 渡邉僚介, 坪井紫乃, 岩倉正訓, 坂根弦太, 小笠原一禎, 石井知彦

分光化学系列
Metal complexes are very attractive compounds because their physical properties, such as electronic and magnetic properties and optical phenomena, can be simply explained by the ligand field splitting. The physical properties can be controlled systematically by changing the substituent on the ligand atom or molecule. We reported on a universal 2D spectrochemical series by using the DV-Xα method. The discussion about the ligand field splitting by the combination of all the metals and ligands became possible by using this figure. This research reports on a novel 3D spectrochemical series by three parameters of the ligand field splitting, the kinds of a metal and the ligand molecules. On the other hand, the Tanabe-Sugano diagram exhibited by eV unit is made by the DVME method. We also report the Tanabe-Sugano diagram in the case of d8 electron system of not only octahedral but also square planar symmetries.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

25

1&2

120

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