【摘要】 <正> 苯基稀土钆配合物具有Ln-Cσ键,由于这类配合物不稳定且分离困难,故其研究工作开展得很少^[1,2],其电子结构的研究尚未见报道.最近,我们合成了新型的苯基稀土配合物C₆H₅LnCl₂·nTHF（Ln=Pr、Sm、Gd,n=3,4）并测定了其晶体结构^[3],本文报道了苯基稀土钆配合物的电子结构和成键性质,并与中性苯稀土配合物的成键性质^[4]进行了比较.更多还原

【Abstract】 The electronic structure,bond character,and reaction mechanism of phenyl rare earth complex,C6H5GdCl2·4THF,have been studied by using INDO method.The results obtained show that the Lewis acidity of Gd ion is weakened and polarity of Gd-Cl bond is decreased in the ethyl ether with a weak polarity,and substitution of GdCl3 with phenyl lithium as soft base is forced.After electron-withdrawing phenyl substituted Cl,the positive charge of the rare earth ion is increased.The bond order of bond between phenyl and rare earth ion is larger than that of π bond between neutral benzene and rare earth ion,so the covalency of the former is larger than that of the latter.The redistribution of the valent charges caused by the phenyl coordination leads to the weakening of ortho and para C-H bonds of phenyl,and causes some reaction easily.更多还原