A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication
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https://figshare.com/articles/dataset/A_Magnetically_Robust_Triplet_Ground_State_Sulfur-Hydrocarbon_Diradical_Dication/12121116
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资源简介：
The one- and two-electron
oxidation reactions of tetrathiolated
di-tert-butylpyrene compound 1 with
NO[Al(ORF)4] (ORF = OC(CF3)3) resulted in radical cation salt 1•+[Al(ORF)4]− and diradical dication salt 12+••·2[Al(ORF)4]−, 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 1•+ and on both sulfur-doped rings in 12+••. The diradical dication 12+•• features a robust triplet ground state, representing the first example
of a high-spin sulfur-hydrocarbon diradical.
创建时间：
2020-04-09
