マグネトクロミズム金属錯体の電子構造とスピン構造の解明

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

マグネトクロミズム, DV-Xα法, DV-ME法
The magnetochromism is a phenomenon in which the molecular structure is changed by applying a magnetic field, relating to the changing of the electronic structure and its color reversibly.  First, the ligand field splitting should be changed by changing the metal and the ligand molecule according to the spectrochemical series and Tanabe-Sugano diagram.  Continuously, the spin crossover occurs by changing the ligand field splitting after applying a magnetic field to the molecule.  It is expected to be able to control with the spin structure and the electronic structure simultaneously and reversibly between a high and low spin states.  By using a metal complex showing a spin crossover, we are trying to reveal the mechanism how to perform the magnetochromism phenomenon.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

26

1&2

205

208