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Muonium Addition to a peri-Trifluoromethylated 9-Phosphaanthracene Producing a High-Energy Paramagnetic π-Conjugated Fused Heterocycle
Angewandte Chemie International Edition ( IF 16.6 ) Pub Date : 2021-08-18 , DOI: 10.1002/anie.202109784
Kota Koshino 1, 2 , Kenji M Kojima 3 , Iain McKenzie 3 , Shigekazu Ito 1
Affiliation  

Muon spin rotation/resonance (μSR) studies for 10-mesityl-1,8-bis(trifluromethyl)-9-phosphaanthracene visualized a paramagnetic species produced by addition of muonium (Mu). DFT calculations for the P-muoniation product suggested two isomers, and the metastable conformer including the almost planar fused tricyclic unit simulated the experimental hfcs. The metastable structure is promoted by the larger zero-point energy due to light muon (μ+).
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中文翻译:

Muonium 添加到 per-Trifluoromethylated 9-Phosphaanthracene 产生高能顺磁性 π-共轭稠合杂环

10-mesityl-1,8-bis(trifluromethyl)-9-phosphaanthracene 的 μ 子自旋旋转/共振 (μSR) 研究显示了通过添加 μ 鎓 (Mu) 产生的顺磁性物质。P-介子化产物的 DFT 计算表明有两种异构体,包括几乎平面的稠合三环单元在内的亚稳态构象异构体模拟了实验 hfcs。由于轻介子 (μ + ) ,较大的零点能量促进了亚稳态结构。
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更新日期:2021-10-27
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