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

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

作　　者：胡盛志[1] 谢兆雄[1,2] PALENIK G.J. 

机构地区：[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

出　　处：《物理化学学报》2012年第1期19-24,共6页Acta Physico-Chimica Sinica

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=0.037nm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=0.037nm的R0值(0.1956nm)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=0.055nm和R0=0.1859nm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.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.

关 键 词：锡化合物 键价参数 氧化态 次级键 

分 类 号：O641.1[理学—物理化学]