摘要
The X-ray crystal structures of (NH4)2(15-crown-5)3[Cu(mnt)2] (1) and(NH4)2(benzo-15-crown-5)4-[Cu(mnt)2] ident to 0.5H2O (2) were determined.Two single crystals arecomposed of distinct structures of ammonium-crown ether supramolecular cation and [Cu(mnt)2]^(2-)anion.The triple-decker dication in complex 1 and a sandwich dimmer in complex 2 wereobserved.X-Band EPR studies on the single crystals of both complex 1 and complex 2 have been carriedout at room temperature,which revealed that complex 2 showed a perfect hyperfine structure of Cuwhereas that of complex 1 could not be observed.The principal values and direction cosines of theprincipal axes of the g and A tensors were computed by a least-squares fitting procedure.The spindensity of Cu(ll) was estimated according to the principal values of the A tensors and compared wellwith the results calculated based on DFT method.
The X-ray crystal structures of (NH4)2(15-crown-5)3[Cu(mnt)2] (1) and (NH4)2(benzo-15-crown-5)4- [Cu(mnt)2]·0.5H2O (2) were determined. Two single crystals are composed of distinct structures of ammonium-crown ether supramolecular cation and [Cu(mnt)2]2? anion. The triple-decker dication in complex 1 and a sandwich dimmer in complex 2 were observed. X-Band EPR studies on the single crystals of both complex 1 and complex 2 have been carried out at room temperature, which revealed that complex 2 showed a perfect hyperfine structure of Cu whereas that of complex 1 could not be observed. The principal values and direction cosines of the principal axes of the g and A tensors were computed by a least-squares fitting procedure. The spin density of Cu(II) was estimated according to the principal values of the A tensors and compared well with the results calculated based on DFT method.
作者
SUI YunXia1, WEN LiLi2, ZHANG Huan3 & MENG QingJin2 1 Center of Modern Analysis, Nanjing University, Nanjing 210093, China
2 State Key Laboratory of Coordination Chemistry, Coordination Chemistry Institute, Nanjing University, Nanjing 210093, China
3 Jiangnan Institute of Computing Technology, Wuxi 214083, China
基金
Supported by the National Natural Science Foundation of China (Grant No. 20490218)
