次级键与晶体中锑(III)螯合物配位多面体研究  

Study on the Scondary Bonding and Coordination Polyhedra in Crystal of Antimony(III) Complexonate Family

作　　者：胡盛志[1] 陈明旦[1] B.E.Robertson 

机构地区：[1]厦门大学化学系物理化学研究所,固体表面物理化学国家重点实验室,厦门361005 [2]DepartmentofPhysics,UniversityofRegina,Regina,S4S0A2 Canada

出　　处：《物理化学学报》2005年第6期646-652,共7页Acta Physico-Chimica Sinica

摘　　要：考虑立体活性孤对电子附近次级键配位原子的贡献,对文献报道的三十个氨基多羧酸锑(III)螯合物的晶体结构中配位多面体描述进行了全面的修正.配位多面体的几何构型指定采用了单位球内截多面体的两面角判据及其相关的ANVPDA程序.所有配位多面体几何构型的修正均得到了键价计算的有力支持.Thirty coordination polyhedra, reflecting the presence of a stereoactive lone electron pair, in the crys-tal structures of antimony(III) aminopolycarboxylic complexonates reported in the literature, have been revised. The presence of the lone pair has been acknowledged by including secondary bonded ligand atom(s) in the vicinity of the lone pair of each antimony(III). The resulted polyhedra are discussed in terms of their dihedral angles. In order to focus on the inherent coordination geometry of the central Sb(III) the vertices of the overall polyhedron are moved to the surface of a unit sphere. Inclusion of secondary bonding ligand atom(s) is supported by the valence bond calcu-lations.

关 键 词：次级键 键价和 配位多面体 锑(Ⅲ)螫合物 氨基多羧酸 价电子对互斥理论 

分 类 号：O641.4[理学—物理化学]