双乙酸钠的晶体结构  

Crystal Structure of Sodium Diacetate

作　　者：单成基[1] 宋静[1] 张泽新[2] 胡宁海[3] 贾恒庆[3] 邢彦[3] 

机构地区：[1]中国科学院长春应用化学研究所第4研究室,吉林长春130022 [2]长春科技大学化学系,吉林长春133000 [3]中国科学院长春应用化学研究所第16研究室,吉林长春130022

出　　处：《精细化工》2002年第7期390-393,共4页Fine Chemicals

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”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.

关 键 词：双乙酸钠 晶体结构 抗霉剂 防腐剂 氢键 结构-活性关系 

分 类 号：TQ225.242[化学工程—有机化工]