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采用水热法合成了一个新型混合价态钒锗簇合物[Ge_6V_6~ⅤV_9~ⅣO_(42)(OH)_6(H_2O)].6(1,6-DAH).21H2O(1)(DAH=己二胺),并通过X射线单晶衍射、元素分析、红外光谱、热重分析、价键计算、X射线光电子能谱和磁性分析对其结构、组成和性质进行了表征.X射线单晶衍射分析表明,化合物1结晶属于六方晶系,R3c空间群,晶胞参数a=b=1.98418(6)nm,c=4.63450(3)nm;V=15.8015(12)nm3,Z=6.该化合物中的[Ge_6V_6~ⅤV_9~ⅣO_(42)(OH)_6(H_2O)]簇可看作由3个{Ge2O7}二聚体取代{V18O42}簇中的3个VO5四方锥单元衍生而来.价键计算和XPS分析表明,化合物1中的钒原子处于混合价态.磁性研究表明,化合物1中存在弱的反铁磁相互作用.
A new mixed valence germanium cluster [Ge_6V_6 ~ VV_9 ~ ⅣO_ (42) (OH) _6 (H_2O)] 6 (1,6-DAH) Hexamethylenediamine) were synthesized and characterized by X-ray single crystal diffraction, elemental analysis, infrared spectrum, thermogravimetric analysis, valence bond calculation, X-ray photoelectron spectroscopy and magnetic analysis. The diffraction analysis shows that the crystal of compound 1 belongs to the hexagonal system, and the space group R3c has a unit cell parameter of a = b = 1.98418 (6) nm, c = 4.63450 (3) nm and V = 15.8015 (12) nm3 and Z = The [Ge_6V_6 ~ VV_9 ~ ⅣO_ (42) (OH) _6 (H_2O)] clusters in the compounds can be considered as three VO5 tetragonal units substituted by three {Ge2O7} dimers in the {V18O42} cluster. Valence bond calculations and XPS analysis show that vanadium atoms in compound 1 are in a mixed valence state. Magnetic studies show weak antiferromagnetic interactions in compound 1.