The crystal structure of K7Na3H2W12O426H2O was determined by Xray crystallography and refined to R=0.0864 based on 7024 observed reflections (I>2(I)). The crystallographic parameters are a=11.755(2), b=13.0493(3), ...The crystal structure of K7Na3H2W12O426H2O was determined by Xray crystallography and refined to R=0.0864 based on 7024 observed reflections (I>2(I)). The crystallographic parameters are a=11.755(2), b=13.0493(3), c=16.289(3); =77.13(3), =82.92(3), =89.65(3), triclinic, space group, P1 , V=2416.7(8)3, Z=2, Mr=3330.98, Dcal=4.578Mg/m3, F(000)=2904, (MoK)=29.170mm-1, T=293K. Two independent polyanions are centered respectively at 1,1,1/2 and 1/2, 1/2, 0, approximately perpendicular to each other with dihedral angle between the equatorial planes of the molecules at 96. K+ and Na+ respectively occupy the clefts of the two discrete polyanions.展开更多
The title complex [K3（TNPG）·（H2O）2]n was synthesized by the reaction of the aqueous solutions of trinitrophlomglucinol （TNPG） with KHCO3. The complex was characterized by elemental analysis and FTIR spectro...The title complex [K3（TNPG）·（H2O）2]n was synthesized by the reaction of the aqueous solutions of trinitrophlomglucinol （TNPG） with KHCO3. The complex was characterized by elemental analysis and FTIR spectroscopy, and its single crystal structure was determined by X-ray diffraction analysis. The structural analysis demonstrates that two different coordination modes of K cations [K（1） and K（2）] are around TNPG^3- anions in complex [Ka（TNPG）·（H2O）2]n, where the coordination numbers are eight. All K atoms coordinate with O atoms of phenolic hydroxyl group and nitro-group simultaneously. The thermolysis of the [Ka（TNPG） · （H2O）2]n has been investigated by using differential scanning calorimetry （DSC） and thermogravimetry-derivative thermogravimetry （TG-DTG） at a heating rate of 10 ℃/min. The thermal decomposition processes of the title complex were comprised of one endothermic dehydration stage and one exothermic decomposition stage in 270-320℃, and the final decomposition residue contained KNC. Impact and friction sensitivity results of the complex revealed its sensitive nature towards mechanical stimuli. The experiments verified that the complex has some characteristics of explosive.展开更多
文摘The crystal structure of K7Na3H2W12O426H2O was determined by Xray crystallography and refined to R=0.0864 based on 7024 observed reflections (I>2(I)). The crystallographic parameters are a=11.755(2), b=13.0493(3), c=16.289(3); =77.13(3), =82.92(3), =89.65(3), triclinic, space group, P1 , V=2416.7(8)3, Z=2, Mr=3330.98, Dcal=4.578Mg/m3, F(000)=2904, (MoK)=29.170mm-1, T=293K. Two independent polyanions are centered respectively at 1,1,1/2 and 1/2, 1/2, 0, approximately perpendicular to each other with dihedral angle between the equatorial planes of the molecules at 96. K+ and Na+ respectively occupy the clefts of the two discrete polyanions.
基金Project supported by the National Natural Science Foundation of China （No. 20471008） and the Foundation of the University Basic Foundation of Beijing Institute of Technology （No. 200502B4221）.
文摘The title complex [K3（TNPG）·（H2O）2]n was synthesized by the reaction of the aqueous solutions of trinitrophlomglucinol （TNPG） with KHCO3. The complex was characterized by elemental analysis and FTIR spectroscopy, and its single crystal structure was determined by X-ray diffraction analysis. The structural analysis demonstrates that two different coordination modes of K cations [K（1） and K（2）] are around TNPG^3- anions in complex [Ka（TNPG）·（H2O）2]n, where the coordination numbers are eight. All K atoms coordinate with O atoms of phenolic hydroxyl group and nitro-group simultaneously. The thermolysis of the [Ka（TNPG） · （H2O）2]n has been investigated by using differential scanning calorimetry （DSC） and thermogravimetry-derivative thermogravimetry （TG-DTG） at a heating rate of 10 ℃/min. The thermal decomposition processes of the title complex were comprised of one endothermic dehydration stage and one exothermic decomposition stage in 270-320℃, and the final decomposition residue contained KNC. Impact and friction sensitivity results of the complex revealed its sensitive nature towards mechanical stimuli. The experiments verified that the complex has some characteristics of explosive.
