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Na(HB(pz)3)和Na(HB(3,5-Me2pz)3)分别与VOSO4·nH2O和KSCN及对应的吡唑在甲醇体系中反应,得到两个新型钒氧配合物VO(HB(pz)3)(pz)(SCN)(1)和VO(HB(3,5-Me2pz)3)(3,5-Me2pz)(SCN)-(SCNH)2(2).通过元素分析、红外光谱和紫外光谱对配合物进行了表征,并且研究了它们的荧光光谱,结果表明配合物的发光是金属钒与配体的相互作用产生的.此外,对配合物1和2进行了X射线衍射单晶结构测定.结合从头计算结果进一步分析了配合物的稳定性以及配合物分子中配键的共价特征.
Two novel vanadyl complexes VO (HB (pz) 3) and Na (HB (3,5-Me2pz) 3) were reacted with VOSO4 · nH2O and KSCN and the corresponding pyrazoles in methanol respectively. (pz) 3) (pz) (SCN) (1) and VO (HB (3,5-Me2pz) 3) (3,5-Me2pz) (SCN) The complexes were characterized by FTIR, FT-IR and UV spectroscopy, and their fluorescence spectra were studied. The results showed that the luminescence of the complex was due to the interaction of metal vanadium with the ligands. In addition, Diffraction single crystal structure was determined.The stability of the complex was further analyzed with the ab initio calculation and the covalent bonding characteristics of the complex were also analyzed.