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

引用本文: 胡盛志, 谢兆雄, PALENIK G. J.. Sn(II)―X和Sn(IV)―X (X=O, S, N, C, P, As, Se, Te, F, Cl, Br, I)键价参数[J]. 物理化学学报, 2012, 28(01): 19-24. doi: 10.3866/PKU.WHXB20122819 shu

Citation: HU Sheng-Zhi, XIE Zhao-Xiong, PALENIK G. J.. Bond Valence Parameters for Sn(II)―X and Sn(IV)―X (X=O, S, N, C, P, As, Se, Te, F, Cl, Br, I)[J]. Acta Physico-Chimica Sinica, 2012, 28(01): 19-24. doi: 10.3866/PKU.WHXB20122819 shu

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

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

English

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

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 Date: 13 September 2011
Available Online: 29 December 2011

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:

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沈阳化工大学材料科学与工程学院沈阳 110142

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

English

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

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中国化学会秘书处

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

English

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

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

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CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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