| Synthesis, spectra, structure and quantum chemistry study on two novel oxovanadium complexes with hydrotris （pyrazolyl） borate ligands |
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| 作者姓名： | XING Yongheng SUN Zheng YUAN Houqun GE Maofa NIU Shuyun BAI Fengying |
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| 作者单位： | [1]College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, China [2]Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080,China |
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| 摘 要： | Vanadium is a trace element in lives. Though vana- dium was investigated in life science from 1876, the importance of vanadium in lives was not recognized until 19711,2]. Since bromoperoxidase and nitrogenase were found and proved that vanadium plays an …
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| 关 键 词： | 氧钒配合物 三吡唑基硼氢化物 合成 光谱分析 晶体结构 量子化学计算 |
| 收稿时间： | 2005-07-14 |
| 修稿时间： | 2005-07-142005-10-18 |
Synthesis, spectra, structure and quantum chemistry study on two novel oxovanadium complexes with hydrotris (pyrazolyl) borate ligands |
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| XING Yongheng SUN Zheng YUAN Houqun GE Maofa NIU Shuyun BAI Fengying.Synthesis, spectra, structure and quantum chemistry study on two novel oxovanadium complexes with hydrotris (pyrazolyl) borate ligands[J].Chinese Science Bulletin,2006,51(6):661-667. |
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| Authors: | Yongheng Xing Zheng Sun Houqun Yuan Maofa Ge Shuyun Niu Fengying Bai |
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| Institution: | (1) College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, 116029, China;(2) Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100080, China |
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| Abstract: | 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(pyrazolyl) 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. |
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| Keywords: | oxovanadium complexes tris(pyrazolyl)hydroborate spectrum crystal structure quantum calculation |
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