分子の歪みを考慮した四配位金属錯体における配位子場分裂

石井知彦, 岩倉正訓, 岡﨑翔太, 中野百恵, 辺見宇宙, 小笠原一禎, 坂根弦太

金属錯体, 配位子場分裂, 田辺-菅野ダイアグラム, スピンクロスオーバー, 分光化学系列
Physical properties of a metal complex can be explained by a size of the ligand field splitting of the d-orbital of the central metal ion. We investigate a novel Tanabe-Sugano diagram with any combination of a central metal ion with a ligand molecule for discussing the spin multiplet energy in order to create a new spin-crossover material. In addition, we create a novel 2D spectrochemical series of four-coordinated tetrahedral (Td) metal complex ML4, as well as that in the case of six-coordinated octahedral (Oh) one ML6. We also propose the brand-new way to change the spin-state by changing the energy level splitting caused by the distorted molecular structure in the case of the four-coordinated metal complex ML4, between the square planar (D4h) and the Td one, which can be discussed by the novel distorted parameter τ4.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

27

1&2

59

64