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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。
The title compound was synthesized and a colorless, columnar crystal containing water molecules in the unit cell was obtained. The crystal belongs to the monoclinic system with a space group of P21 / c. The cell parameters a = 1.0371 (2) nm, b = 0.86370 (17) nm, c = 1.3713 (3) nm and β = 103.60 = 297.15, V = 1.1939 (4) nm3, Z = 4, Dc = 1.653 g / cm3, F (000) = 620, R = 0.0528, wR = 0.1572. P atoms are connected to three O atoms and one C atom, respectively, to form a tetrahedral configuration. Two-phosphonic acid-1,2,4-tricarboxylic acid butane and water molecules form a one-dimensional Network; three PO bond length range of 0.1493 (2) ~ 0.1574 (2) nm. Thermal analysis showed that the title compound had a weight loss of 81.146% at 799.65 ° C and decomposition to P2O3. The structure of the title compound contains one phosphonic acid group and three carboxylic acid groups, which are respectively located in four different directions of the C1 atom. Therefore, the steric hindrance is small and the chelating ability to Ca2 + is superior to that of HEDP and ATMP. Therefore, Scale inhibition performance is better than other organic phosphate containing only phosphonic acid groups.