2-膦酸基-1,2,4-三羧酸丁烷的晶体结构及阻垢性能研究  

Study on Crystal Structure and Scale Behaviors of 2-Phosphonobutane-1,2,4-tricarboxylic Acid

作　　者：王瑛[1] 严莲荷[1] 

机构地区：[1]南京理工大学化工学院,南京210094

出　　处：《化学通报》2007年第6期445-449,共5页Chemistry

基　　金：国家自然科学基金资助项目(50372028)

摘　　要：合成了标题化合物,得到了晶胞中含水分子的无色柱状晶体。晶体属单斜晶系,空间群为P21/c,晶胞参数a=1.0371(2)nm,b=0.86370(17)nm,c=1.3713(3)nm,β=103.60(3)°,Mr=297.15,V=1.1939(4)nm3,Z=4,Dc=1.653g/cm3,F(000)=620,R=0.0528,wR=0.1572。P原子分别与三个O原子和一个C原子相连,形成四面体构型;2-膦酸基-1,2,4-三羧酸丁烷和水分子之间通过分子间氢键形成一维网络;三个P-O键的键长范围在0.1493(2)～0.1574(2)nm。热分析表明,标题化合物在799.65℃时,失重率为81.146%,分解为P2O3。标题化合物的结构中含有一个膦酸基、三个羧酸基,且分别在C1原子的四个不同方向,因此空间位阻小,对Ca2+的螯合能力优于HEDP和ATMP等,故其综合阻垢性能优于其它仅含有膦酸基的有机磷酸盐。2-Pbosphonobutane-1,2,4-tricarboxylic acid solvate has been prepared. Its crystal structure was determined by X-ray diffraction methods. The compound crystallizes in monoclinic system, space group P21/c, with lattice parameters a=1.0371（2）nm,b=0.86370（17）nm,c=1.3713（3）nm,β=103.60（3）°,Mr=297.15,V=1.1939（4）nm^3,Z=4,Dc=1.653g/cm^3,F（000）=620,R=0.0528 and wR=0.1572. The phosphorus atom exhibits tetrahedral coordination. There are some interactions in this structure connecting H2 0 and 2-phosphonobutane-1,2,4-tricarboxylic acid altogether, and form an one-dimensional network. The thermal analytical data indicate that it decomposed 81.146% at the temperature of 799.65 ℃ , leaving P2O3 .

关 键 词：晶体结构 单斜晶系 2-膦酸基-1 2 4-三羧酸丁烷 阻垢性能 

分 类 号：O627.51[理学—有机化学]