化学通报（网络版）
化學通報（網絡版）
화학통보（망락판）
Chemistry Online
2007年
1期
1-8
,共8页
晶体结构%单斜晶系%2-膦酸基-1,2,4-三羧酸丁烷%阻垢性能
晶體結構%單斜晶繫%2-膦痠基-1,2,4-三羧痠丁烷%阻垢性能
정체결구%단사정계%2-련산기-1,2,4-삼최산정완%조구성능
Crystal structure%Monoclinic%2-Phosphonobutane-1,2,4-tricarboxylic acid%Scale behaviors
合成了标题化合物C7H11O9P·1.5H2O,得到无色柱状晶体.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°C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有机磷酸盐.
閤成瞭標題化閤物C7H11O9P·1.5H2O,得到無色柱狀晶體.晶體屬單斜晶繫,空間群為P21/c,晶胞參數 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原子分彆與三箇O原子和一箇C原子相連,形成四麵體構型;2-膦痠基-1,2,4-三羧痠丁烷和水分子之間通過分子間氫鍵形成一維網絡;三箇 P-O 鍵的鍵長範圍在0.1493(2)~0.1574(2)nm.熱分析錶明:標題化閤物在799.65°C時,失重率為81.146%,分解為P2O3.標題化閤物的結構中含有一箇膦痠基、三箇羧痠基,且分彆在C1原子的四箇不同方嚮,因此空間位阻小,對Ca2+的螯閤能力優于HEDP和ATMP等,故其綜閤阻垢性能優于其它僅含有膦痠基有機燐痠鹽.
합성료표제화합물C7H11O9P·1.5H2O,득도무색주상정체.정체속단사정계,공간군위P21/c,정포삼수 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.P원자분별여삼개O원자화일개C원자상련,형성사면체구형;2-련산기-1,2,4-삼최산정완화수분자지간통과분자간경건형성일유망락;삼개 P-O 건적건장범위재0.1493(2)~0.1574(2)nm.열분석표명:표제화합물재799.65°C시,실중솔위81.146%,분해위P2O3.표제화합물적결구중함유일개련산기、삼개최산기,차분별재C1원자적사개불동방향,인차공간위조소,대Ca2+적오합능력우우HEDP화ATMP등,고기종합조구성능우우기타부함유련산기유궤린산염.
2-phosphonobutane-1,2,4-tricarboxylic acid Solvate has been prepared. The crystal and molecular structure of the title compound, C7H11O9P·1.5H2O, 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) nm3, Z=4, Dc=1.653g/cm3, F(000)=620, R=0.0528 and wR=0.1572. The phosphorus atom exhibit tetrahedral coordination. There are some interactions in this structure connect H2O and 2-phosphonobutane-1,2,4-tricarboxylic acid altogether, and form a one-dimensional network. The thermal analytical data indicate that it decomposed 81.146%at the temperature of 799.65℃,leaving P2O3.
