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双乙酸钠的晶体结构

Crystal Structure of Sodium Diacetate

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【作者】 单成基宋静张泽新胡宁海贾恒庆邢彦

【Author】 SHAN Cheng-ji 1,SONG Jing 1,ZHANG Ze-xin 2,HU Ning-hai 3,JIA Heng-qing 3,XING Yan 3 (1.4th lab. Changchun Institute of Applied Chemistry,Chinese Academy of Sciences,Changchun 130022,China ;2.Department of Chemistry,Changchun University of Science a

【机构】 中国科学院长春应用化学研究所第4研究室长春科技大学化学系中国科学院长春应用化学研究所第16研究室中国科学院长春应用化学研究所第16研究室 吉林长春130022吉林长春130022吉林长春1

【摘要】 在研究成功双乙酸钠零污染合成工艺的基础上 ,培养成功了晶型完美的单晶并应用四圆衍射仪对其晶体结构进行了测定 ,结果表明 :在双乙酸钠晶体中不存在相对独立的乙酸和乙酸钠分子 ;双乙酸钠分子内的羰基和羟基氢原子可形成氢键 (O—H…O) ,其H原子位于两个O原子连线的正中间 ,属于结构化学中极罕见的“对称氢键”。文中对双乙酸钠的结构和性能的关系以及“对称氢键”亦进行了探讨

【Abstract】 Sodium diacetate(SDA) is both an effective preservative and mould-inhibitor can be used extensively in food and feed industry.On the basis of developing a new technology to synthesize SDA successfully without any pollution, the single crystal of SDA in perfect shape suitable for X-ray diffraction was obtained. The crystal structure determined with four-circle diffractometer indicates that all the hydrogen-oxygen linkages in O-H...O of SDA crystal are the same and equal to 0.1232 nm,in other words, the H atom in O-H...O linkage is located in the right center between two O atoms.This phenomenon appears very rarely in structural chemistry,and according to the suggestion of Professor XU Guang-xian ,the linkage O-H...O is not an ordinary hydrogen bond,but belongs in essence to a special covalent bond among three atoms provided with polyelectrons and can be named as "symmetrical hydrogen bond ". In this article, the "structure-activity relation "and the "symmetrical hydrogen bond " are also dealt with to some extent.

  • 【分类号】O76
  • 【被引频次】5
  • 【下载频次】201
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