具有磁稳定性的三重态基态硫-碳氢双自由基双阳离子
A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.
作者信息
Tang Shuxuan, Zhang Li, Ruan Huapeng, Zhao Yue, Wang Xinping
机构信息
State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210023, China.
Center of Materials Science and Engineering, Guangxi University of Science and Technology, Liuzhou 545006, China.
出版信息
J Am Chem Soc. 2020 Apr 22;142(16):7340-7344. doi: 10.1021/jacs.0c02141. Epub 2020 Apr 13.
The one- and two-electron oxidation reactions of tetrathiolated di--butylpyrene compound with NO[Al(OR)] (OR = OC(CF)) resulted in radical cation salt [Al(OR)] and diradical dication salt 2[Al(OR)], respectively. Both salts were isolated as stable crystals and investigated by single-crystal X-ray diffraction, EPR spectroscopy, SQUID measurements, and UV-vis spectroscopy. The electron spin density is delocalized on one single sulfur-doped ring in and on both sulfur-doped rings in . The diradical dication features a robust triplet ground state, representing the first example of a high-spin sulfur-hydrocarbon diradical.
四硫醇化二丁基芘化合物与NO[Al(OR)]（OR = OC(CF)）的单电子和双电子氧化反应分别生成自由基阳离子盐[Al(OR)]和双自由基双阳离子盐2[Al(OR)]。两种盐均以稳定晶体形式分离，并通过单晶X射线衍射、电子顺磁共振光谱、超导量子干涉仪测量和紫外可见光谱进行研究。电子自旋密度在[Al(OR)]中定域在单个硫掺杂环上，在2[Al(OR)]中定域在两个硫掺杂环上。双自由基双阳离子具有稳定的三重基态，是高自旋硫-碳氢化合物双自由基的首个实例。
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