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Nitrogen Analogues of o-Quinodimethane with Unexpected non-Kekule Diradical Character 被引量:1
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作者 Tao Li Cheng Cheng +4 位作者 Ningning Yuan Lei Wang Chao Chen Gengwen Tan Xinping Wang 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2018年第6期487-490,共4页
Two-electron oxidations of three 1,2-di(bisphenylamino)-benzenes afforded a class of nitrogen analogues of o-quinodimethane. Their elec-tronic structures in the ground state were studied by spectroscopic techniques ... Two-electron oxidations of three 1,2-di(bisphenylamino)-benzenes afforded a class of nitrogen analogues of o-quinodimethane. Their elec-tronic structures in the ground state were studied by spectroscopic techniques including EPR and UV-vis absorption spectroscopy. They have open-shell singlet ground states with thermally accessible triplet states. One of them (12+2) has been crystalized and isolated. SQUID measurements, single crystal X-ray diffraction and theoretical calculat ons show I has unexpected non-Kekule diradical character, sharply different from o-quinodirnethane. 展开更多
关键词 o-quinodimethane DIRADICALS triplet state X-ray structures DFT calculations
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