One-dimensional alkylate-bridged Würster's blue-based diradical dications  

作　　者：Tao Li Houjia Wei Zaichao Zhang Yue Zhao Yunxia Sui Xinping Wang 

机构地区：[1]State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering,' Collaborative Innovation Center of Advanced Mierostructures, Nanjing University, Nanjing 210093, China [2]School of Chemistry and Chemical Engineering, Huaiyin Normal University, Huai'an 223300, China

出　　处：《Science China Chemistry》2017年第5期602-606,共5页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China(21525102,2169002);the Natural Science Foundation of Jiangsu Province(BK20140014)

摘　　要：By using weakly coordinating anions we succeeded in the stabilization and isolation of two Wfirster＇s blue-based diradicaloid dications with saturated spacers. Their geometries and electronic structures were investigated by various experiments in conjunction with DFT calculations. Both one-dimensional alkylate-bridged dications show considerable diradical character with spacer-dependent singlet-triplet energy gaps. One of them displays a much enhanced diradical character and could basically be viewed as a pure diradical with degeneracy of singlet and triplet states.By using weakly coordinating anions we succeeded in the stabilization and isolation of two Würster's blue-based diradicaloid dications with saturated spacers. Their geometries and electronic structures were investigated by various experiments in conjunction with DFT calculations. Both one-dimensional alkylate-bridged dications show considerable diradical character with spacer-dependent singlet-triplet energy gaps. One of them displays a much enhanced diradical character and could basically be viewed as a pure diradical with degeneracy of singlet and triplet states.

关 键 词：DIRADICAL SINGLET excited triplet state Wiirster＇s blue radical cation X-ray structure 

分 类 号：O621[理学—有机化学]