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{Cu[H_2NC(CH_2OH)_3]_2}{Pic}_2·H_2O的合成与晶体结构
引用本文:曾明华,石少明,郁开北.{Cu[H_2NC(CH_2OH)_3]_2}{Pic}_2·H_2O的合成与晶体结构[J].结构化学,2002(5).
作者姓名:曾明华  石少明  郁开北
作者单位:广西师范大学化学化工系生物无机化学研究所 桂林541004 (曾明华,石少明),中科院成都分院分析测试中心 成都610041(郁开北)
基金项目:广西高校科学基金资助课题
摘    要:三羟甲基氨基甲烷与苦味酸(Pic)铜在乙醇水混合液中反应,制得少见的不对称氢键连接的超分子化合物{CuH2NC(CH2OH)3]2}{Pic}2?H2O。晶体属三斜晶系,空间群为P ,晶胞参数为a = 6.894(1),b = 8.219(1),c = 13.543(3) ? ?= 79.290(1),?= 8 3.36(2), ?= 84.590(1)埃轿狢20H30CuN8O22,V = 746.9(2) 3,Z = 1,Dc = 1.774 g/cm3,F(000) = 411,?= 0.844 mm-1,R = 0.0334,Rw = 0.0863。在配合物的结构单元中, Cu2+位于对称中心,分别与2个四齿配体(三羟甲基氨基甲烷)中的2个OH,1个NH2,三齿配位,呈笼状螯合。而另一个OH,因配体和中心离子构型的限制,不参与配位。

关 键 词:铜配合物  晶体结构  氢键

Preparation and Crystal Structure of Copper Complex {Cu[H_2NC(CH_2OH)_3]_2}{Pic}_22·H_2O
ZENG Ming-Hua,LIANG Hong,SHI Shao-Ming.Preparation and Crystal Structure of Copper Complex {Cu[H_2NC(CH_2OH)_3]_2}{Pic}_22·H_2O[J].Chinese Journal of Structural Chemistry,2002(5).
Authors:ZENG Ming-Hua  LIANG Hong  SHI Shao-Ming
Abstract:The supramolecular complex {CuH2NC(CH2OH)3]2}{Pic}22H2O was prepared by the reaction of niacinamice and copper picrate in ethanol water solution, and characterized by elemental analysis and IR spectroscopy. The crystal structure was determined by single-crystal diffraction analysis: triclinic, space group P with a = 6.894(1), b = 8.219(1), c = 13.543(3) ? ?= 79.290(1), ?= 83.36(2), ?= 84.590(1)? V = 746.9(2) 3, Z = 1, Dc = 1.774 g/cm3, F(000) = 411, ?= 0.844 mm-1, R = 0.0334 and wR = 0.0863. The crystal structure reveals that the copper ion is trans-octahedral with one -NH2 and two -OH of two tetradentate ligand niacinamice. Every {CuH2NC(CH2OH)3]2}{Pic}2?H2O unit forms nine hydrogen bonds (of two types: OH…O and NH…O), bridging with other units. The complex forms a two-dimensional network through hydrogen bonds.
Keywords:copper complex  crystal structure  hydrogen bond  two-dimensional network
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