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化学学报
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化学学报 ›› 2001, Vol. 59 ›› Issue (11): 1946-1951. 上一篇    下一篇

研究论文

Na(NTO)(H2O)的制备、晶体结构及热力学性质研究

宋纪蓉;马海霞.;孙晓红;胡荣祖;郁开北   

  1. 西北大学化工系陕西省物理无机化学重点实验室;西安近代化学研究所.西安 (710061);中国科学院成都分院
  • 发布日期:2001-11-15

Preparation, crystal structure and thermodynamical properties of Na (NTO)(H2O)

Song Jirong;Ma Haixia;Sun Xiaohong;Hu Rongzu;Yu Kaibei   

  1. Xian Modern Chem Res Inst, POB 18.Xian(710061)
  • Published:2001-11-15

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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)nm^3,Dc=1.925g/cm^3,Z=4,F(000)=344,μ=0.238mm^-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。

关键词: 氢氧化钠, 晶体结构, 热力学性质, Ｘ射线衍射分析, 硝基化合物, 三唑酮

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)(H2O) was determined by single crystal diffraction analysis. The crystal is monoclinic, space group P21/c with crystal parameters of a=0.6303(1)nm, b=0.8285(1)nm, c=1.1574(2) nm, β=103.85(1)°, V=0.5868(2) nm^3, Dc=1.925g/cm^3, Z=4, F(000)=344, μ=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.

Key words: SODIUM HYDROXIDE, CRYSTAL STRUCTURE, THERMODYNAMIC PROPERTIES, X-RAY DIFFRACTION ANALYSIS, NITRO COMPOUNDS, TRIADIMEFON

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