物理化学学报 >> 2012, Vol. 28 >> Issue (01): 19-24.doi: 10.3866/PKU.WHXB20122819

热力学，动力学和结构化学 上一篇    下一篇

Sn(II)―X和Sn(IV)―X (X=O, S, N, C, P, As, Se, Te, F, Cl, Br, I)键价参数

胡盛志1, 谢兆雄1,2, PALENIK G. J.3   

  1. 1. 厦门大学化学系, 福建厦门 361005;
    2. 厦门大学固体表面物理化学国家重点实验室, 福建厦门 361005;
    3. Chemistry Department, The University of Floride, P. O. Box 117200, Gainesville, FL 32611-7200, USA
  • 收稿日期:2011-09-13 修回日期:2011-11-06 发布日期:2011-12-29
  • 通讯作者: 胡盛志 E-mail:szhu@xmu.edu.cn

Bond Valence Parameters for Sn(II)―X and Sn(IV)―X (X=O, S, N, C, P, As, Se, Te, F, Cl, Br, I)

HU Sheng-Zhi1, XIE Zhao-Xiong1,2, PALENIK G. J.3   

  1. 1. Department of Chemistry, Xiamen University, Xiamen 361005, Fujian Province, P. R. China;
    2. State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005, Fujian Province, P. R. China;
    3. Chemistry Department, The University of Floride, P. O. Box 117200, Gainesville, FL 32611-7200, USA
  • Received:2011-09-13 Revised:2011-11-06 Published:2011-12-29
  • Contact: HU Sheng-Zhi E-mail:szhu@xmu.edu.cn

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摘要： 基于剑桥晶体数据库中同配配合物的Sn(II)―X和Sn(IV)―X (X=O, S, N, C, P, As, Se, Te, F, Cl, Br, I)键长数据, 采用键价参数B=0.037 nm拟合得到Sn(II)―X和Sn(IV)―X的键价参数R0, 这样拟合的经验参数R0中有一些是首次推出. 本文所报道的Sn(II)―O键基于B=0.037 nm的R0值(0.1956 nm)可适用于多数Sn(II)呈各种配位数时的氧化态指定, 而文献报道的B=0.055 nm 和R0=0.1859 nm 主要对于低配位的情况能取得Sn(II)原子价态指定的较好结果. 本研究证明, 进一步研究键价参数对键价和(BVS)计算至关重要的那些可能的因素实乃当务之急.

关键词: 锡化合物, 键价参数, 氧化态, 次级键

Abstract: The bond valence parameters (R0) for homoleptic Sn(II)―X and Sn(IV)―X complexes, where X=O, S, N, C, P, As, Se, Te, F, Cl, Br, and I, were determined using data retrieved from the Cambridge Structural Database with bond valence parameter B=0.037 nm. Some are the first reported experimental values for Sn(II)―X or Sn(IV)―X bonds. In the case of Sn(II)―O, R0=0.1956 nm with B=0.037 nm can be used to assign the oxidation state of the central Sn(II) ion for almost all coordination numbers. In contrast, the reported parameter set of R0=0.1859 nm with B=0.055 nm appears applicable mainly to complexes with a low coordination number. Our results suggest that further studies of bond valence parameters are required to better understand the factors that are important in bond valence sum (BVS) calculations.

Key words: Tin compound, Bond valence parameter, Oxidation state, Secondary bond