Song Lijuan, Keul Felix, Mardyukov Artur
Dr Lijuan Song, Kelix Keul and Dr Artur Mardyukov Institute of Organic Chemistry, Justus-Liebig University, Heinrich-Buff-Ring 17, 35392 Giessen, Germany.
Chem Commun (Camb). 2019 Aug 28;55(67):9943-9946. doi: 10.1039/c9cc05065e. Epub 2019 Aug 5.
Herein, we report, for the first time, the preparation, matrix-isolation, and spectroscopic characterization of the methyl selenyl radical and methyl-Se-nitrososelenol in combination with DFT and CASSCF/NEVPT2 computations. The latter proved to be highly photolabile, and upon irradiation with light at λ = 465 nm it leads to methyl selenyl and nitric oxide radical pairs. Upon λ > 730 nm irradiation it rearranges back to methyl-Se-nitrososelenol.
在此，我们首次报告了甲基硒自由基和甲基硒基亚硝基硒醇的制备、基质隔离及光谱表征，并结合密度泛函理论（DFT）和完全活性空间自洽场/内收缩多参考二级微扰理论（CASSCF/NEVPT2）计算。结果表明，后者具有高度的光不稳定特性，在λ = 465 nm光照下会生成甲基硒自由基和一氧化氮自由基对。在λ > 730 nm光照下，它会重新排列变回甲基硒基亚硝基硒醇。
