2018 Fiscal Year Final Research Report
Control of multiple spin exciton states by synergetic studies of theory and experiment
| Project Area | Application of Cooperative-Excitation into Innovative Molecular Systems with High-Order Photo-functions |
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| Project/Area Number |
26107004
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| Research Category |
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | University of Tsukuba |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
鎌田 賢司 国立研究開発法人産業技術総合研究所, 材料・化学領域, 上級主任研究員 (90356816)
北河 康隆 大阪大学, 基礎工学研究科, 准教授 (60362612)
岸 亮平 大阪大学, 基礎工学研究科, 助教 (90452408)
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| Research Collaborator |
NAKANO Masayoshi
MIZOKURO Toshiko
FUJIMOTO Kazuhiro
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| Project Period (FY) |
2014-07-10 – 2019-03-31
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| Keywords | 電子状態計算 / 分子動力学法 / 一重項分裂 / 三重項消光 / エネルギー移動 |
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| Outline of Final Research Achievements |
Recently, the triplet-triplet annihilation (TTA) based photon up-conversion (UC) process has been extensively studied as a possible device that utilizes solar power because TTA-UC generates high-energy photon emission from absorptions of lower energy photons. TTA-UC process is quite complicated. Thus, one should analyze a series of these processes in parallel to deeply understand the mechanism of TTA-UC.
In this study, we analyze the reaction kinetics of TTA and triplet exciton transfer (TTET) by theoretical calculation based on Marcus theory, which is the basic theory of the reaction kinetics of electron transfer, and clarify the reaction mechanisms of TTA-based up-conversion processes both in solution and in solid phases.
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| Free Research Field |
理論化学
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| Academic Significance and Societal Importance of the Research Achievements |
本研究では溶液系に対して9,10ジフェニルアントラセン(DPA)、およびその誘導体Cn-sDPA(n=6-8)のTTA-UC反応量子収率の違いが、(1)溶液内での2分子の距離分布の違い、(2)擬π軌道の非局在化による電子移動速度定数の増大に原因があることを突き止めました。また、固体系においては（３）三重項エネルギー移動の次元性が重要であることを提案した。本成果は今後のTTA-UCの高効率化を達成するための一つの分子設計の指針となるものと考えられる。
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