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Citation: ZHAO Hai-Han, LI Zhang-Peng, BAI Feng-Ying, XING Yong-Heng, ZENG Xiao-Qing, GE Mao-Fa, NIU Shu-Yun. Synthesis,Crystal Structure and Mimic Catalytic Activity of Functional Oxovanadium Complex with Imidazole[J]. Chinese Journal of Applied Chemistry, ;2010, 27(6): 677-683. doi: 10.3724/SP.J.1095.2010.90537 shu

Synthesis,Crystal Structure and Mimic Catalytic Activity of Functional Oxovanadium Complex with Imidazole

a. College of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029;
b. Institute of Chemistry, Chinese Academy of Sciences, Beijing

Received Date: 18 August 2009
Revised Date: 4 November 2009

A new functional monomeric complex of oxovanadium(Ⅳ),VO(imidazole)₄(SO₄)·H₂O(1) was synthesized from the reaction of VOSO₄·nH₂O with imidazole in methanol at room temperature. The complex was characterized by elemental analysis,IR spectrometry and single crystal X-ray diffraction. Structure analysis reveals that complex 1 crystallized in an orthorclinic system with space group Pna2₁,a=1.3844(3) nm,b=0.9786(2) nm, c=1.3617(3) nm,α=β=γ=90°,V=1.8447(6) nm³,Z=4. Bromination reaction activity of the complex was evaluated by the method with phenol red as organic substrate in the presence of H₂O₂, Br^-and phosphate buffer. The reaction rate constant(k) for complex 1 was calculated as 2.7600 × 10⁷L²/(mol²·s). The electronic structure and the bonding characters of the complex were analyzed with ab initio calculation. The atomic net charge distribution in the molecular system indicates obvious covalent interaction between the coordinating atoms and vanadium,the bond order of V-O1(1.0553) is obviously larger than that of V-O₂(0.3942),the bond order of the four V-N bonds(0.3336~0.3419) is similar. The results are consistent with the structure analysis of the complex.
- oxovanadium complex,
- imidazole,
- catalytic activity,
- crystal structure,
- quantum chemistry
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