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宋纪蓉, S. Jirong, C. Zhaoxu, Hu Rongzu*, X. Heming, and L. Fuping
Journal of Thermal Analysis and Calorimetry, Vol. 58 (1999) 257-267,-0001,():
-1年11月30日
The single crystal of lead salt of 3-nitro- 1, 2, 4-triazol-5-one (NTO), [Pb(NTO)2.H20] was prepared and its structure was determined by a four-circle X-ray diffractometer. The crystal is monoclinic, its space group is P21/n with crystal parameters of a=0.7262(1) rim, b=1.2129(2)nm, c=1.2268(3)nm, [3=90.38(2)o, V=1.0806(2)nm3, Z=4, Dc=2.97gcm-3, p.=157.83cm-1, F(000)=888. The final R is 0.027. By using SCF-PM3-MO method we obtained optimized geometry for [Pb(NTO)2.H20] and particularly positions for hydrogen atoms. Through the analyses of MO levels and bond orders it is found that Pb atom bond to ligands mainly with its 6p, and 6py AOs. The thermal decomposition experiments are elucidated when [Pb(NTO)z.H20] is heated, ligand water is dissociated first and NO2 group has priority of leaving. Based on the thermal analysis, the thermal decomposition mechanism of [Pb(NTO)2.H20] has been derived. The lattice enthalpy and its lattice energy were also estimated.
crystal structure,, lattice energy,, lattice enthalpy,, lead salt of NTO,, preparation,, quantum chemical calculation,, thermal decomposition mechanism
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宋纪蓉, 张建刚, 李文哲, 史红兵, 黄洁, 马海霞, 徐抗震
西北大学学报,2002,32(3):217~220,-0001,():
-1年11月30日
对苹果深加工进行系统研究。提出了以苹果汁为原料生产苹果酒和苹果乳酸饮品;提出了可利用榨汁后的苹果废渣生产柠檬酸、膳食纤维和果胶,同时,阐述了利用碰果、落果等不宜作为鲜果食用的苹果生产食用酒精和苹果白酒。
苹果, 果酒, 柠檬酸, 膳食纤维, 果胶, 食用酒精, 苹果白酒
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宋纪蓉, Jirong Song a, ∗, Haixia Ma a, Jie Huang a, Rongzu Hu b
Thermochimica Acta 416(2004)43-46,-0001,():
-1年11月30日
The single crystal of cobalt compound of 3-nitro-1,2,4-triazol-5-one (NTO) ([Co(H2O)6](NTO)2•2H2O) was prepared and the crystal structure has been determined by a four-circle X-ray diffractometer. The compound is monoclinic with space group Cc and unit cell parameters of a=2.3163 (2)nm, b=0.6451 (1) nm, c=1.4123 (1)nm, β=123.96 (1)◦, V=1.7504 (3)nm3 and Z=4. Based on the thermal analysis, the thermal decomposition mechanism of [Co(H2O)6](NTO)2•2H2O has been derived. From measurements of the enthalpy of solution in water at 298.15 K, the standard enthalpy of formation, lattice enthalpy and lattice energy have been determined as −(2594.7±4.5), −2753.19, and −2718.19 kJ mol−1, respectively.
3-Nitro-1,, 2,, 4-triazol-5-one (, NTO), , Preparation, Crystal structure, Thermal decomposition mechanism, Thermodynamic properties
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【期刊论文】Phase diagram and compatibility of the binary systems TNT-polyester and TNT-picric acid
宋纪蓉
,-0001,():
-1年11月30日
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宋纪蓉, Song Jirong a, *, Hu Rongzu b, Kang Bing b, Li Fuping b
Thermochimica Acta 335(1999)19-25,-0001,():
-1年11月30日
H[Pr(NTO)4(H2O)4]-2H2O was prepared by mixing the aqueous solution of lithium 3-nitro-1,2,4-triazol-5-onate and the dilute nitric acid solution of Pr6O11. The single crystal structure has been determined by a four-circle X-ray diffractometer. The crystal is triclinic, space group P1 with crystal parameters of a=1.0463(10)nm, b=1.0484(10)nm, c=1.1474(10)nm,α=99.10(10)0, β=96. 96(10)0, r=97.65(10)0, V=1.2186(2)nm3, Z-2, Dc-2.088g-cmÿ3, u=21.17 cmÿ1, F(0 0 0)540. The final R is 0.0206. Based on the thermal analysis, the thermal decomposition mechanism of H[Pr(NTO)4(H2O)4]-2H2O has been derived. From measurements of the enthalpy of solution in water of H[Pr(NTO)4(H2O)4]-2H2O at 298.15 K, the standard enthalpy of formation, lattice energy and lattice enthalpy have been determined as ÿ(2884.1 8.9), ÿ5443.25 and ÿ5473.25 kJ molÿ1, respectively.
Crystal structure, Praseodymium coordination, Enthalpy of solution, Lattice energy, Lattice enthalpy, NTO salt, Preparation, Standard enthalpy of formation, Thermal decomposition mechanism
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