Synthesis, Structure and Quantum Chemistry Calculation of Scorpionate Oxovanadium Complexes with Benzoate
文献类型：期刊论文
| 作者 | Li Zhang-Peng1; Xing Yong-Heng1; Zhang Yuan-Hong1; Bai Feng-Ying1; Zeng Xiao-Qing2; Ge Mao-Fa2 |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 2009-04-01 |
| 卷号 | 25期号:4页码:741-746 |
| 关键词 | Oxovanadium Complex Poly(Pyrazolyl)Borate Crystal Structure Quantum Chemistry |
| ISSN号 | 1000-6818 |
| DOI | 10.3866/PKU.WHXB20090423 |
| 英文摘要 | Two new monomeric complexes of oxovanadium (IV), VO[HB(pz)(3)](pzH)(C6H5COO) (1) and VO[HB(3,5-Me(2)pz)(3)](3,5-Me(2)pzH)(C6H5COO) (2) (HB(pz)(3): hydrotris(pyrazolyl)borate; pzH: pyrazole; HB(3,5-Me(2)pz)(3): hydrotris (3,5-dimethylpyrazolyl)borate; 3,5-Me(2)pzH: 3,5-dimethyl pyrazole) were synthesized from the reaction of VOSO4 center dot nH(2)O with corresponding ligands. The complexes were characterized by elemental analysis, IR spectrum, and single crystal X-ray diffraction. The electronic structures and the bonding characteristics of both complexes were analyzed using ab initio calculations. Calculation results show that the structure of complex 2 is more stable than that of complex 1. The atomic net charge distribution in the molecular system indicates obvious covalent interaction between the coordinated atoms and vanadium. These results are consistent with the structural analyses of these complexes. |
| 语种 | 英语 |
| WOS记录号 | WOS:000265197400024 |
| 出版者 | PEKING UNIV PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66709]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Xing Yong-Heng |
| 作者单位 | 1.Liaoning Normal Univ, Coll Chem & Chem Engn, Dalian 116029, Liaoning Prov, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li Zhang-Peng,Xing Yong-Heng,Zhang Yuan-Hong,et al. Synthesis, Structure and Quantum Chemistry Calculation of Scorpionate Oxovanadium Complexes with Benzoate[J]. ACTA PHYSICO-CHIMICA SINICA,2009,25(4):741-746. |
| APA | Li Zhang-Peng,Xing Yong-Heng,Zhang Yuan-Hong,Bai Feng-Ying,Zeng Xiao-Qing,&Ge Mao-Fa.(2009).Synthesis, Structure and Quantum Chemistry Calculation of Scorpionate Oxovanadium Complexes with Benzoate.ACTA PHYSICO-CHIMICA SINICA,25(4),741-746. |
| MLA | Li Zhang-Peng,et al."Synthesis, Structure and Quantum Chemistry Calculation of Scorpionate Oxovanadium Complexes with Benzoate".ACTA PHYSICO-CHIMICA SINICA 25.4(2009):741-746. |
入库方式： OAI收割
来源：化学研究所
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