物理化学学报 >> 2002, Vol. 18 >> Issue (12): 1104-1109.doi: 10.3866/PKU.WHXB20021210

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镧系元素相关的键价参数研究

陈明旦;胡盛志   

  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
  • 收稿日期:2002-03-27 修回日期:2002-07-15 发布日期:2002-12-15
  • 通讯作者: 胡盛志 E-mail:szhu@xmu.edu.cn

Study on the Bond Valance Parameters Related to Lanthanoid

Chen Ming-Dan;Hu Sheng-Zhi   

  1. State Key Laboratory for Physical Chemistry of Solid Surfaces, Institute of Physical Chemistry, Department of Chemistry, Xiamen University, Xiamen　361005
  • Received:2002-03-27 Revised:2002-07-15 Published:2002-12-15
  • Contact: Hu Sheng-Zhi E-mail:szhu@xmu.edu.cn

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摘要： 根据镧系元素络合物的晶体结构数据确定了单价键长R0的镧系收缩效应，并对已有的键价参数进行了系统的修订.建立了Ln-O键的R0对原子序数N在普适参数B=0.037 nm下的线性方程R0(nm)=0.2879－0.00132N.用不同参数进行键价和的计算并对结果进行了对比和讨论，最后展望了相关研究的前景.

关键词: 键价参数, 镧系收缩, 键价和

Abstract: Based on the crystal structure data of the lanthanide complexes, lanthanide contraction of the single valance bond length R0 for Ln－O bond is confirmed. The R0 values with B=0.037 nm were re-determined systematically as described by the linear equation R0 (nm)=0.2879－0.00132N, where N is the atomic number of lanthanide. Using the parameters suggested by Brown-O′Keeffe and the present authors, the bond valance sums for Ln(III) in some organometallic compounds were calculated and discussed in detail. Prospects for the further studies in the line of bond valence parameters were briefly presented.

Key words: Bond valance parameter, Lanthanide contraction, Bond valance sum