水合苯并—15—冠—5四溴合铟(Ⅲ)酸钠(NaInBr4)2(C14H20O5)3·2H2O的晶体结构
CRYSTAL STRUCTURE OF HYDRATED BENZO-15-CROWN-5-SODIUMTETRABROMOINDATE(Ⅲ)(NaInBr4)2(C14H20O5)3·2H2O
作者单位
周稚仙  
张宪新  
叶玲  
樊玉国  
摘要: 本文报道了在乙醇—氯仿混合溶剂中首次获得组份为(NaInBr4)2(C14H20O5)3·2H2O的晶体配合物.用元素分析确定了其组份.通过红外光谱的研究证实配合物晶体中的阳离子与醚氧原子及水分子发生了配合作用。 用X-射线衍射法测定了配合物的晶体结构,晶体属单斜晶系,M=1755.3,a=14.393(8)Å,b=28.494(9)Å,c=15.191(8)Å,β=96.63(5)°,V=6189Å3,Dc=1.88g·cm-3,Z=4,空间群为C2h5——P21/n。晶体结构研究表明不对称单位中包含两个配阳离子Na+(B15C5)(B15C5)代表C14H20O5分子)。两个配阴离子InBr4-、两个H2O分子和一个未被金属离子配合的B15C5分子。配合物的晶体结构测定结果对于阐明与该晶体相对应的萃取体系In(Ⅲ)/NaBr/B15C5—1,2C2H4Cl2的萃取机理提供了理论依据。
关键词: 晶体结构  冠醚    萃取
基金项目: 
Abstract: In this paper, we report a new crystal complex (NaInBr)2(B15C5)3·2H2O which was obtained from ethanol-chloroform solution for the first time. Its structure has been determined by X-ray diffraction technique. Crystal data: (NaInBr4)2(C14H20O5)3·2H2O,M = 1755.3,monoclinic, a= 14.393(8)Å,A = 28.494(9)Å,c= 15.191(8)Å,β= 96.63(5)°,V=6189(5)Å3, Dc = 1.88g·cm-3,Z = 4, space group P21 / n.X-ray structure work showed that in asymmetrical unit of the complex there are two complex cations Na+(B15C5), two complex anions InBr4-, two molecules of water and one uncomplexed molecule of B15C5 which is sandwiched in between two Na+(B15C5). The Na+ is coordinated by five oxygen atoms of B15C5 and one molecule of water, meanwhile, InBr4- combines with Na+(B15C5) through electrostatic force. The distances between oxygen atoms of water and those of uncomplexed B15C5, i.e., O(16)-O(31), O(16)-O(33), O(26)-O(32)and O(26)-O(34) are 2.942Å, 2.768Å, 2.892Å and 2.781Å successively, this indicates that the molecule of uncomplexed B15C5, may be held to Na+(B15C5) through hydrogen bonds.The determination of crystal structure of the title complex provided some theoretical consideration for elucidating the mechanism of corresponding extraction system of In(Ⅲ)/NaBr/B15C5-1,2-C2H4Cl2.
Keywords: indium  crown ether  crystal structure  extraction
投稿时间:1988-05-12 
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周稚仙,张宪新,叶玲,樊玉国.水合苯并—15—冠—5四溴合铟(Ⅲ)酸钠(NaInBr4)2(C14H20O5)3·2H2O的晶体结构[J].无机化学学报,1990,6(4):433-438.
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