Na（NTO）（H2O）的制备、晶体结构及热力学性质研究

Preparation, Crystal Structure and Thermodynamical Properties of Na(NTO)(H2O)

利用氢氧化钠溶液与NTO水溶液进行反应制备了标题化合物并培养出单晶.通过X射线单晶结构分析法测定分子结构和晶体结构,其分子式可表示为Na(NTO)(H2O),晶体属单斜晶系,P21/c空间群.晶体学参数为:a=0.6303(1)nm,b=0.8285(1)nm,c=1.1574(2)nm,β=103.85(1)°,V=0.5868(2)nm3,Dc=1.925g/cm3,Z=4,F(000)=344,μ=0.238 mm-1,R=0.0259.通过Na(NTO)(H2O)在水中溶解焓的测定,算得其标准生成焓、晶格焓和晶格能.

Na(NTO) (H2O) was prepared by mixing an aqueous solution of 3 - nitro - 1, 2,4 - triazol - 5 one (NTO) and that of sodium hydroxide. The crystal structure of Na(NTO) (1120) was determined by single crystal diffraction analysis. The crystal is monoclinic, space group P2(1)/c with crystal parameters of a = 0.6303(1) nm, b = 0.8285 ( 1) nm, c = 1.1574 (2) nm, beta = 103.85 (1)degrees, V = 0.5868 (2) nm(2), D-c = 1. 925 g/cm(3), Z = 4, F (000) = 344, mu = 0.238 mm(-1), R = 0. 0259. By measurement of the solution enthalpy of Na(NTO) (H2O) in water at 298.15 K, the standard enthalpy of formation, lattice energy, and lattice enthalpy have been calculated.