3,4,5,6-tetrafluorophenylnitren-2-yl: A ground-state quartet triradical

Grote D.; Finke C.; Kossmann S.; Neese F.; Sander W.

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3,4,5,6-tetrafluorophenylnitren-2-yl: A ground-state quartet triradical

机译：3,4,5,6-四氟苯二胺-2-基：基态四重基三基

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The photochemistry of 2iodo-3,4,5,6-tetrafluorophenyl azide (7d) has been investigated in argon and neon matrices at 4 K, and the products characterized by IR and EPR spectroscopy. The primary photochemical step is loss of a nitrogen molecule and formation of phenyl nitrene 1d. Further irradiation with UV or visible light results in mixtures of Id with azirine 5d′, ketenimine 6d′, nitreno radical 2d, and azirinyl radical 9. The relative amounts of these products strongly depend on the matrix and on the irradiation conditions. Nitreno radical 2d with a quartet ground state was characterized by EPR spectroscopy. Electronic structure calculations in combination with the experimental results allow for a detailed understanding of the properties of this unusual new type of organic high-spin molecules.

机译：在4 K的氩气和氖气基质中，研究了2io-3,4,5,6-四氟叠氮化物（7d）的光化学，并通过IR和EPR光谱表征了产物。光化学的主要步骤是损失氮分子并形成苯基亚硝基1d。用紫外线或可见光进一步照射会导致Id与叠氮基5d'，酮亚胺6d'，亚硝基基团2d和叠氮基基团9形成混合物。这些产物的相对含量强烈取决于基质和照射条件。具有四重基态的Nitreno自由基2d通过EPR光谱表征。电子结构计算与实验结果相结合，可以详细了解这种不寻常的新型有机高自旋分子的性质。

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《Chemistry: A European journal》 |2010年第15期|共11页
作者
Grote D.; Finke C.; Kossmann S.; Neese F.; Sander W.;
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正文语种 eng
中图分类应用化学;
关键词
EPR spectroscopy; IR spectroscopy; Matrix isolation; Photochemistry; Radicals;

机译：EPR光谱;IR光谱;基质分离;光化学;自由基;

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1. 3,4,5,6-tetrafluorophenylnitren-2-yl: A ground-state quartet triradical [J] . Grote D., Finke C., Kossmann S., Chemistry: A European journal . 2010,第15期

机译：3,4,5,6-四氟苯二胺-2-基：基态四重基三基
2. 3,4,5,6-Tetrafluorophenylnitren-2-yl: A Ground-State Quartet Triradical [J] . Dirk Grote Dr., Christopher Finke, Simone Kossmann, Chemistry - A European Journal . 2010,第15期

机译：3,4,5,6-四氟苯基硝基-2-基：基态四重基三基
3. 2,3,5,6-Tetrafluorophenylnitren-4-yl: Electron Paramagnetic Resonance Spectroscopic Characterization of a Quartet-Ground-State Nitreno Radical [J] . Wolfram Sander, Dirk Grote, Simone Kossmann, Journal of the American Chemical Society . 2008,第13期

机译：2,3,5,6-四氟苯基硝基-4-基：四方基态硝态自由基的电子顺磁共振光谱表征
4. A New Quartet Approach for Reconstructing Phylogenetic Trees: Quartet Joining Method [C] . Lei Xin, Bin Ma, Kaizhong Zhang Annual International Conference on Computing and Combinatorics(COCOON 2007); 20070716-19; Banff(CA) . 2007

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5. Reactivity studies of charged σ,σ,σ-triradicals using the distonic ion approach and fourier transform ion cyclotron resonance mass spectrometery [D] . Vinueza Benitez, Nelson R. 2010

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6. 2-(4-Aminophenyl)-3,4,5,6-tetrahydropyrimidin-1-ium chloride [O] . Krešimir Molčanov, Ivana Stolić, Biserka Kojić-Prodić, 2015

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7. The 5-Dehydro-m-xylylene Triradical and Its Nitrogen and Phosphorus Derivatives: Open-Shell Doublet versus Quartet Ground State. [O] . Hue Minh Thi Nguyen, G. Gopakumar, Jozef Peeters, 2005

机译：5-脱氢-M- Xylylene Triradical及其氮和磷衍生物：开壳双壳与四重矩基态。
8. High-Resolution Photofragment Spectroscopy of the Plus 1 Molecular Oxygen b Quartet Sigma (gerade minus)(v' = 3,4,5) - a Quartet Pi (ungerade)(V 7 = 3,4,5) First Negative System Using Coaxial Dye-Laser and Velocity-Tuned Ion Beams [R] . Cosby, P. C., Ozenne, J. B., Moseley, J. T., 1979

机译：plus 1分子氧的高分辨率光碎片光谱b四方西格玛（gerade minus）（v'= 3,4,5） - 四方pi（ungerade）（V 7 = 3,4,5）使用同轴的第一个负系统染料激光和速度调谐离子束

3,4,5,6-tetrafluorophenylnitren-2-yl: A ground-state quartet triradical

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