水杨醛邻菲咯啉氧钒配合物的合成和晶体结构

Synthesis and Crystal Structure of [VO_2(Sal)(Phen)]·H_2O

合成和表征了一个新的氧钒配合物[VO2(Sal)(Phen)]·H2O.在该配合物中,钒(V)原子与六个氧原子配位,形成一个变形的八面体结构.该晶体属于单斜晶系,空间群为C2/c.晶胞参数为a=3.0857(9)nm,b=0.7256(2)nm,c=2.0470(6)nm,β=127.413(4)°,V=3.6407(19)nm3,Z=8,Dc=1.468g·cm-3,F(000)=1648,R1=0.0772,wR2=0.1067.在晶体结构中,分子间氢键和π-π堆积使晶体构成了一个三维网状结构.

The new vanadyl complex [VO2 （Salicylaldehyde）（Phenanthroline）] · H2O was synthesized and characterized by IR, elemental analysis and X-ray diffraction analysis. In the complex, the vanadium atom （V） was coordinated to six oxygen atoms and formed a distorted octahedral structure. The crystal belonged to monoclinic system with space group C2/c,a =3. 085 7（9） nm,b =0. 725 6（2） nm,c = 2. 047 0（6） nm,β=127.413（4）°,γ=3.6407（19）nm^3,Z=8,Dc=1.468g·cm^-3,F（000）=1648,R1=0.0772,ωR2=0.1067.In the crystal structure, the combination of intermoleeular hydrogenbonding （O-H...O） and π-π stacking interactions resulted in the three-dimensional network structure.