Time-Dependent Simulation of Spin Dynamics for Photo-Excited High-Spin System and Generation of Spin Polarization
| Project/Area Number |
26620071
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Functional solid state chemistry
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| Research Institution | Osaka City University |
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Principal Investigator |
TEKI Yoshio 大阪市立大学, 大学院理学研究科, 教授 (00180068)
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| Research Collaborator |
SHIMIZU Akihiro 大阪市立大学, 大学院理学研究科
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2014: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
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| Keywords | スピンダイナミックス / 励起高スピン状態 / 時間領域シミュレーション / 時間分解ＥＳＲ / 平均ハミルトニアン / πラジカル / スピン偏極 / 光励起状態 / 平均スピンハミルトニアン / 量子混合状態 / スピン偏曲 |
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| Outline of Final Research Achievements |
In this project, the following scientific achievements were obtained. We synthesized three kinds of anthracene-X-radical compounds, in which X is a pai-conjugate linker such as ethynyl groups. For the two compounds, time-resolved ESR spectra showing the dynamic electron spin polarization (DESP) generated in the doublet excited state were observed. We developed the spectral simulation method of time-domain ESR for the exchange-coupled triplet-radical pair systems using the averaged Hamiltonian theory (secular averaging). We have succeeded for the simulations of the TRESR spectra with the observed DESP for their allowed transitions. The slight generation of the DESP in the doublet ground state was predicted from the spectral simulation taking the decay from the polarized double excited state to the doublet ground state into account. The important knowledge toward the DESP generation both in the photoexcited states and the ground state was obtained in this project.
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Report
(4 results)
Research Products
(6 results)
