Supermolecular crystal composed of p-nitrophenol, hexamethylenetetramine, phosphoric acid and water was obtained by supermolecular assembly. The crystal has a centrosymmetric structure with space group P21/c. The rela...Supermolecular crystal composed of p-nitrophenol, hexamethylenetetramine, phosphoric acid and water was obtained by supermolecular assembly. The crystal has a centrosymmetric structure with space group P21/c. The relative intensity and integral value of green frequency doubling of light from the crystal powder compared with that from KDP powder measured by pico-second Nd:YAG laser are 757.3 (KDP: 183.4) and 1771.7 (KDP: 423.98), respectively. In supermolecular crystal, due to the arrangement of centrosymmetric p-nitrophenol molecules in the inorganic-organic host framework formed by hexamethylenetetramine, phosphoric acid and water, the distances between the p-nitrophenol molecules with centrosymmetry are changed (N1A-O1A: 0.8158 nm, N1B’-O1B: 1.4450 nm, N1A-N1A’: 0.5837 nm, N1B’-N1B: 0.6898 nm), and the interaction between the dipoles becomes weak, which is easy for the ground state to turn into the excited state charge separated form, and generate the stable asymmetrical distribution of π-electron cloud density of quinonal structure, thus exhibiting SHG effect.展开更多
A novel compound formulated [NH2(CH2)4CHNH2COOH]H6P2Mo18O62 has been synthesized and its structure has been characterized, which is the first example of aminoacid-heteropolyacid species. Crystal system is orthorhombic...A novel compound formulated [NH2(CH2)4CHNH2COOH]H6P2Mo18O62 has been synthesized and its structure has been characterized, which is the first example of aminoacid-heteropolyacid species. Crystal system is orthorhombic, space group P21212, unit cell dimensions: α=1. 572 2(3) nm, b=2.118 1 (4) nm, c=1.238 3(3) nm, α=90.04(3)°, β=90.00 (2)°, γ= 89. 99 (3)°, V = 4.123 6(14) nm3, Z=2, D0=2.437×103 kg/m3, R=0.038 7. Experimental result shows that the title compound has electrocatalysis reactivity.展开更多
A new heteropoly supermolecular compound was synthesized and characterized by elemental analysis, IR and TG-DSC. Six vibrational bands of organic groups were observed in IR spectra and the characteristic bands of hete...A new heteropoly supermolecular compound was synthesized and characterized by elemental analysis, IR and TG-DSC. Six vibrational bands of organic groups were observed in IR spectra and the characteristic bands of heteropoly anion are shifted to a higher frequency as the result of electronic delocalization in the heteropoly anion. The liquid crystal behavior of heteropoly supermolecular compound in organic solvent was firstly studied. When the observation was carried out under the polarimicroscope, the liquid crystal was showed as the smectic phase, which is characterized by heterothermal as well as wide angle XRD.展开更多
A supermolecular compound, {8-hydroxyquinolineH44+·SiW12O404-·2H2O} was synthesized by hydrothermal reaction with silico-tungstic acid and 8-hydroxyquinoline. The crystal of the compound belongs to monoclini...A supermolecular compound, {8-hydroxyquinolineH44+·SiW12O404-·2H2O} was synthesized by hydrothermal reaction with silico-tungstic acid and 8-hydroxyquinoline. The crystal of the compound belongs to monoclinic system, space group P21/n, with a=1.282 6(6) nm, b=2.292 7(4) nm, c=2.092 0(6) nm, β=95.495(2)°, Z=4, V=6.124 1(7) nm3, Dc=3.791 g·cm-3, μ=22.568 mm-1, F(000)=6 200, R1=0.029 3, wR2=0.069 3, GOF=1.079. Su-permolecular compound is composed of one SiW12O404- with Keggin structure, four protonated cations of 8-hydroxyquinoline, two hydrones. Thermal analysis results showed that the anionic skeleton construction of heteropoly acid in compound decomposed approximately at 349.0 ℃. CCDC: 622142.展开更多
基金This work was supported by the National Natural Science Foundation of China (Grant No. 69778022) the Natural Science Foundation of Liaoning Province (Grant No. 9810301001).
文摘Supermolecular crystal composed of p-nitrophenol, hexamethylenetetramine, phosphoric acid and water was obtained by supermolecular assembly. The crystal has a centrosymmetric structure with space group P21/c. The relative intensity and integral value of green frequency doubling of light from the crystal powder compared with that from KDP powder measured by pico-second Nd:YAG laser are 757.3 (KDP: 183.4) and 1771.7 (KDP: 423.98), respectively. In supermolecular crystal, due to the arrangement of centrosymmetric p-nitrophenol molecules in the inorganic-organic host framework formed by hexamethylenetetramine, phosphoric acid and water, the distances between the p-nitrophenol molecules with centrosymmetry are changed (N1A-O1A: 0.8158 nm, N1B’-O1B: 1.4450 nm, N1A-N1A’: 0.5837 nm, N1B’-N1B: 0.6898 nm), and the interaction between the dipoles becomes weak, which is easy for the ground state to turn into the excited state charge separated form, and generate the stable asymmetrical distribution of π-electron cloud density of quinonal structure, thus exhibiting SHG effect.
文摘A novel compound formulated [NH2(CH2)4CHNH2COOH]H6P2Mo18O62 has been synthesized and its structure has been characterized, which is the first example of aminoacid-heteropolyacid species. Crystal system is orthorhombic, space group P21212, unit cell dimensions: α=1. 572 2(3) nm, b=2.118 1 (4) nm, c=1.238 3(3) nm, α=90.04(3)°, β=90.00 (2)°, γ= 89. 99 (3)°, V = 4.123 6(14) nm3, Z=2, D0=2.437×103 kg/m3, R=0.038 7. Experimental result shows that the title compound has electrocatalysis reactivity.
文摘A new heteropoly supermolecular compound was synthesized and characterized by elemental analysis, IR and TG-DSC. Six vibrational bands of organic groups were observed in IR spectra and the characteristic bands of heteropoly anion are shifted to a higher frequency as the result of electronic delocalization in the heteropoly anion. The liquid crystal behavior of heteropoly supermolecular compound in organic solvent was firstly studied. When the observation was carried out under the polarimicroscope, the liquid crystal was showed as the smectic phase, which is characterized by heterothermal as well as wide angle XRD.
文摘A supermolecular compound, {8-hydroxyquinolineH44+·SiW12O404-·2H2O} was synthesized by hydrothermal reaction with silico-tungstic acid and 8-hydroxyquinoline. The crystal of the compound belongs to monoclinic system, space group P21/n, with a=1.282 6(6) nm, b=2.292 7(4) nm, c=2.092 0(6) nm, β=95.495(2)°, Z=4, V=6.124 1(7) nm3, Dc=3.791 g·cm-3, μ=22.568 mm-1, F(000)=6 200, R1=0.029 3, wR2=0.069 3, GOF=1.079. Su-permolecular compound is composed of one SiW12O404- with Keggin structure, four protonated cations of 8-hydroxyquinoline, two hydrones. Thermal analysis results showed that the anionic skeleton construction of heteropoly acid in compound decomposed approximately at 349.0 ℃. CCDC: 622142.
