3-硝基-1,2,4-三唑-5-酮锶配合物的制备、晶体结构和热力学性质研究  

Preparation, Crystal Structure and Thermodynamical Properties of [Sr(NTO)_2(H_2O)_4]_2·4H_2O

作　　者：宋纪蓉[1] 胡荣祖[2] 李福平[2] 郁开北[3] 

机构地区：[1]西北大学化工系,西安710069 [2]西安近代化学研究所,西安710065 [3]中国科学院成都分院,成都610041

出　　处：《化学学报》2000年第2期222-228,共7页Acta Chimica Sinica

基　　金：国家自然科学基金(29971025);中国博士后科学基金资助课题

摘　　要：通过3-硝基-1,2,4-三唑-5-酮(NTO)与碳酸锶反应,制备了标题配合物,其结构用单晶分析法测定,所得晶体学参数为α=1.1034(1)nm,b=2.2742(2)nm,c=O.63398(9)nm,β=101.798(13)°,V=1.5573(4)nm^3,D_0=1.936g·cm^(-3),Z=2,F(OOO)=912,μ=35.45cm^(-1);晶体属单斜晶系,空间群为P2_1/c,最终偏离因子R为0.0344.通过标题配合物在水中溶解焓的测定,算得其标准生成焓、晶格焓、晶格能和标准脱水焓.[Sr(NTO)2(H2O)4]2 4H2O was prepared by mixing an aqueous solution of 3 - nitro - 1,2,4 -triazol - 5 - one and an excess of strontium carbonate. The single crystal structure has been determined on a four - circle X - ray diffractometer. The crystal is monoclinic, space group P21/c with crystal parameters of a = 1.1034(1)nm; b =2.2742(2)nm, c =0.63398(9)nm,β= 101.798(13)°, V= 1.5573(4)nm3,Dc= 1.936g cm-3, Z= 2, F(000)=912, μ=35.45cm-1, λ(MoKa) =0.071073nm. The final R is 0.0344. From measurements of the enthalpy of solution in water of [Sr(NTO)2 (H2O)4]2 ·4H2O at 298. 15K, the standard enthalpy of formation, lattice energy, lattice enthalpy and standard enthalpy of dehydration have been determined as -(2545.2±4.7), -2114, - 2136 and 67.2kJ·mol-1, respectively.

关 键 词：NTO锶配合物 制备 晶体结构 热力学性质 

分 类 号：O641.4[理学—物理化学]