2013 Fiscal Year Final Research Report
Theoretical Design of Fluorescence Mudulation Molecular Assemblies Using P-type of Photochromic Reaction
| Project/Area Number |
23550006
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Akita University |
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Principal Investigator |
AMATATSU YOSHIAKI 秋田大学, 工学(系)研究科(研究院), 准教授 (90241653)
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| Project Period (FY) |
2011 – 2013
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| Keywords | 分子設計 / 電子励起状態 / フォトクロミック反応 / 非経験的分子軌道法 / 分子アセンブリ / 蛍光モジュレーション / 分子回転モーター |
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| Research Abstract |
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.
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