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合成所得三齿配体PAN酰钒配合物的二个晶体分别属于空间群P(?)与P2_1/c,晶胞参数相应为a=8.488,b=10.100,c=11.974,α=72.73°,β=78.56°,r=73.55°;a=11.496,b=9.883,c=16.360,β=100.18°。晶体结构分别由Patterson法与直接法解出,最终分别得R_W因子为0.0814与0.0599。结构分析表明,VO_2~+配合物中二聚体的形成是通过酰钒基VO_2~+中的一个桥氧原子参与第六配键而实现的;而VO(O_2)(PAN)(Py)的生成则表明被强螯合三齿配体PAN螯合的VO~(2+)物种较易转化为具五方双锥构型的过氧根VO~(3+)配合物。基于合成中并未使用任何过氧物,产物中过氧根的形成是个特别有兴趣的问题。
The two crystals of the synthesized triacyanovanadate PAN vanadyl complex belong to the space group P (?) And P2_1 / c respectively, the unit cell parameters are a = 8.488, b = 10.100, c = 11.974 and α = 72.73 °, β = 78.56 °, r = 73.55 °; a = 11.496, b = 9.883, c = 16.360, β = 100.18 °. The crystal structure was solved by the method of Patterson and the direct method respectively, and finally the R_W factors were 0.0814 and 0.0599 respectively. The structural analysis shows that the formation of dimers in VO_2 ~ + complexes is achieved through the participation of a bridging oxygen atom in the vanadyl radical VO_2 ~ + in the sixth coordinate bond. The VO (O_2) (PAN) (Py) The results showed that VO ~ (2+) species chelated by strongly chelated tridentate ligands PAN were more easily converted to peroxide VO ~ (3+) complexes with pentagonal bipyramid configuration. The formation of peroxo radicals in the product is a particularly interesting issue based on the fact that no peroxide is used in the synthesis.