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以苯胺、正丁基锂和四氯化锆等为原料合成了含金属锆、锂的双核化合物(1),并通过X-ray单晶衍射,1H NMR,13C NMR对该化合物结构进行了表征。该化合物单斜晶系,Cc空间群,晶胞参数a=18.675(3),b=10.3906(14),c=16.446(2),α=90.00°,β=96.757(2)°,γ=90.00°,V=3169.2(7),Z=4,R1=0.0492,ωR2=0.0983,F(000)=1280。其中,Zr(IV)与配体中的两个氮原子、本身所带的四个氯原子配位,形成变形八面体配位构型,而Li(I)与两个氯原子、溶剂乙醚分子中的氧原子配位,形成一个四面体构型。
Binuclear compound (1) containing metal zirconium and lithium was synthesized from aniline, n-butyllithium and zirconium tetrachloride. The structure of the compound was characterized by X-ray single crystal diffraction, 1H NMR and 13C NMR . The compound is monoclinic with a Cc space group with unit cell parameters a = 18.675 (3), b = 10.3906 (14), c = 16.446 (2), α = 90.00 °, β = 96.757 (2) °, 90.00 °, V = 3169.2 (7), Z = 4, R1 = 0.0492, ωR2 = 0.0983, F (000) = 1280. Among them, Zr (IV) coordinates with two nitrogen atoms in the ligand and four chlorine atoms in the ligand to form a deformed octahedral coordination structure, while Li (I) and two chlorine atoms, a solvent ether molecule The oxygen atoms coordinate to form a tetrahedral configuration.