Time-Dependent Simulation of Spin Dynamics for Photo-Excited High-Spin System and Generation of Spin Polarization

2016 Fiscal Year Final Research Report

• Project/Area Number: 26620071
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Functional solid state chemistry
• Research Institution: Osaka City University
• Principal Investigator: TEKI Yoshio 大阪市立大学, 大学院理学研究科, 教授 (00180068)
• Research Collaborator: SHIMIZU Akihiro 大阪市立大学, 大学院理学研究科
• Project Period (FY): 2014-04-01 – 2017-03-31
• 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

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.

Free Research Field

スピン科学