Synthesis, spectra, structure and quantum chemistry study on two novel oxovanadium complexes with hydrotris (pyrazolyl)
Two novel oxo-vanadium complexes of VO(HB(pz)3)(pzH)(SCN) (1) and VO(HB(3,5-Me2pz)3) (3,5-Me2pzH)(SCN)(SCNH)2 (2) with tris(pyrazolyl) hydroborate ligands were prepared by the reaction of VOSO4·nH2O, KSCN with Na(HB(pz)3), pyrazole, or Na(HB(3,5-Me2pz)3) and methyl-substituted pyrazole in the solution of MeOH, respectively. The complexes were characterized by element analysis, IR, and UV- vis spectra. In the mean time, the fluorescence spectrum was studied too, and the result indicates that the luminescence of the complexes is related to the interaction between oxovanadium ion and tris(pyra- zolyl) hydroborate ligands. In addition, structures of oxovanadium complexes 1 and 2 were determined by X-ray diffraction. The electronic structures and the bonding characters of the two complexes were analyzed with ab initio calculations.
作 者： XING Yongheng SUN Zheng YUAN Houqun GE Maofa NIU Shuyun BAI Fengying 作者单位： XING Yongheng,YUAN Houqun,NIU Shuyun,BAI Fengying(College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, China)SUN Zheng,GE Maofa(Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, China)
刊 名： 科学通报（英文版） SCI 英文刊名： CHINESE SCIENCE BULLETIN 年，卷(期)： 2006 51(6) 分类号： O6 关键词： oxovanadium complexes tris(pyrazolyl)hydroborate spectrum crystal structure quantum calculation