Theoretical Design of Fluorescence Mudulation Molecular Assemblies Using P-type of Photochromic Reaction

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Molecular assemblies are of great interest in nanotechnology. As important topics, we examined two types of molecular assemblies by means of reliable levels of ab initio molecular orbital calculations. One topic is concerning the photochemical behaviors of diarylethenes which are attracted by photofunctions such as photoswitch, fluorescence modulation device. In the present study, we gave a reasonable interpretation on the quantum yield between the open and ring forms. Also we obtained an implication that electronically excited diarylethene by two-photon process goes to the conical intersection region directly. The other is concerning the light-driven molecular rotary motor of ethylenoids. Thereby, we proposed a new guiding principle in designing a more effective molecular rotary motor from a computational viewpoint.