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中文摘要：
设计合成了两种新型的以聚类吡唑硼酸盐为配体的钒氧配合物VO（acac）[HB（Pz），]（1）和vo（acac）[HB（3，5-Me2pz）3]·CH，CN（2）．运用元素分析、红外光谱和紫外光谱对所合成的配合物进行了表征，并用X射线衍射测定了它们的晶体结构．同时，采用量子化学的Hartree—Fock方法和自然轨道分析方法（NBO），使用3-21G^＊（6d，7f）基组计算得到了两个分子体系的分子轨道、原子电荷以及键级，并对其结构进行了分析．
英文摘要：
Two new complexes of VO （ acac ） [ HB （ pz）31 （ 1 ） and VO （ acac ） [ HB （ 3,5-Me2 pz ）31 · CH3 CN （2） were synthesized by using tripyrazolylborate ligand. Both complexes were characterized by element analy sis, IR spectra, UV-Vis spectra and their crystal structures were determined by X-ray diffraction. The electronic structure and the bonding characters of the two complexes were calculated with ab initio and Natural Bonding Orbital analysis.
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