Völzer Tim, Beer Henrik, Schulz Axel, Lochbrunner Stefan, Bresien Jonas
Institute of Physics, University of Rostock, Albert-Einstein-Str. 23-24, 18059 Rostock, Germany.
Phys Chem Chem Phys. 2021 Mar 28;23(12):7434-7441. doi: 10.1039/d1cp00428j. Epub 2021 Mar 24.
As previously reported, photoisomerization of the open-shell singlet biradicaloid [TerNP]CNDmp (2) yields its closed-shell housane-type isomer (3). In the present study, pump-probe spectroscopy was applied to investigate the excited-state dynamics of the photoisomerization, indicating ultrafast de-excitation of the S state through a conical intersection, in agreement with computational predictions. The structural and electronic changes during the isomerization process are discussed to gain an understanding of the reaction pathway and the transformation of the biradicaloid to a closed-shell species.
如先前报道，开壳单重态双自由基型[TerNP]CNDmp (2) 的光异构化产生其闭壳型屋烷类异构体 (3)。在本研究中，采用泵浦-探测光谱来研究光异构化的激发态动力学，结果表明S态通过锥形交叉实现超快去激发，这与计算预测结果一致。讨论了异构化过程中的结构和电子变化，以了解反应途径以及双自由基型向闭壳物种的转变。
