フォトクロミック化合物の構造変化に伴う電子構造の変化

渡辺洋平, 劔持雅弘, 石井知彦, 坂根弦太

フォトクロミック化合物
The photochromic compound has the photochromism phenomenon which is the reversible changing of the color caused by the changing of the molecular structure and the electronic structure after irradiatibg of the ultraviolet light and/or heat treatment.  The color changing seen in the photochromic compound can be explained by the changing of the electronic structure caused by changing of the molecular structure.  Therefore, the photochromism phenomenon can be clarified by examining the change in the electronic state according to physical properties such as photoabsorptions.  Then, the mechanism of the photochromism is clarified in the electron theory by using the DV-Xα molecular orbital method in order to discuss the electroic state in the photochromic compound.  The purpose of this research is to create the concept of the molecular structural design in order to predict the color of the photochromic compound.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

22

1&2

169

172