Nitrogen Analogues of o-Quinodimethane with Unexpected non-Kekule Diradical Character  

作　　者：Tao Li Cheng Cheng Ningning Yuan Lei Wang Chao Chen Gengwen Tan Xinping Wang 

机构地区：[1]State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing, Jiangsu 210023, China

出　　处：《Chinese Journal of Chemistry》2018年第6期487-490,共4页中国化学（英文版）

摘　　要：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.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.

关 键 词：O-QUINODIMETHANE DIRADICALS triplet state X-ray structures DFT calculations 

分 类 号：O613.71[理学—无机化学] X703[理学—化学]