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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, 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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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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【期刊论文】Preparation, crystal structure and quantum chemical investigation of [Li(NTO)(H2O)2]
宋纪蓉, SONG Jirong, CHEN Zhaoxu, XlAO Heming, HU Rongzu, and LI Fuping
Chinese Science Bulletin Vol. 44 No.3 February 1999,-0001,():
-1年11月30日
[Li(NTO)(H2O)2] was prepared by mixing the aqueous solution of 3-nitro-1, 2, 4-triazol-5-one (NTO) and lithium hydroxide. The crystal structure of [Li(NTO)(H2O)2] was determined by single crystal diffraction analysis. The crystal is monoclinic, space group P21/n with crystal parameters of α=0.742 0(2)nm, b=0.344 9(1)nm, c=2.490 6(3)nm, β=94.89(1)α, Z=4, Dc=1.799g. cm 3, V=0.635nm3, μ=l.591cm-1, F(000)=392. The finaIR is 0.051. TheMNDOMOcalculation shows that the coordinate bonds of title compound possess certain extent of covalent character. 02 atom of NTO anion is bonded to Li atom; the nitro group will be lost first when NTO is decomposed.
NTO,, lithium coordination,, crystal structure,, MNDO MO method.,
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