物理化学学报 >> 2005, Vol. 21 >> Issue (06): 646-652.doi: 10.3866/PKU.WHXB20050614

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次级键与晶体中锑(III)螯合物配位多面体研究

胡盛志; 陈明旦; B. E. Robertson   

  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； Department of Physics, University of Regina, Regina, S4S 0A2 Canada
  • 收稿日期:2004-11-16 修回日期:2005-01-19 发布日期:2005-06-15
  • 通讯作者: 胡盛志 E-mail:szhu@xmu.edu.cn

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

HU Sheng-zhi; CHEN Ming-dan; ROBERTSON B. E.   

  1. Department of Chemistry, Institute of Physical Chemistry, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005； Department of Physics, University of Regina, Regina S4S 0A2 Canada
  • Received:2004-11-16 Revised:2005-01-19 Published:2005-06-15
  • Contact: HU Sheng-zhi E-mail:szhu@xmu.edu.cn

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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.

关键词: 次级键, 键价和, 配位多面体, 锑(III)螯合物, 氨基多羧酸, 价电子对互斥理论

Abstract: Thirty coordination polyhedra, reflecting the presence of a stereoactive lone electron pair, in the crystal 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 calculations.

Key words: Secondary bonding, Bond valence sum, Coordination polyhedron, Antimony(III) complex, Aminopolycarboxylic acid, VSEPR theory