A new tetranuclear cyanide-bridged complex [PPh4]2[NiⅡ（CN）4CuⅠ（PPh3）2]2·2CH3OH （[PPh4]＋ = tetraphenylphosphine cation, PPh3 = triphenylphosphine） 1 has been synthesized and characterized by IR spectrosco...A new tetranuclear cyanide-bridged complex [PPh4]2[NiⅡ（CN）4CuⅠ（PPh3）2]2·2CH3OH （[PPh4]＋ = tetraphenylphosphine cation, PPh3 = triphenylphosphine） 1 has been synthesized and characterized by IR spectroscopy, elemental analysis, electronic absorption spectra and single-crystal X-ray diffraction. This complex crystallizes in triclinic, space group Pí with a = 10.910（5）, b = 15.777（7）, c = 18.275（8）, α = 68.752（12）, β = 79.776（13）, γ = 81.400（14）°, NiCuC65H50N4OP3, Mr = 1122.25, V = 2873（2）3 , Z = 2, Dc = 1.293 g/cm3, F（000） = 1156, μ = 0.826 mm-1, the final R = 0.0755 and wR = 0.2155 for 7324 observed reflections （I 2σ（I））. The title compound exhibits a discrete square tetranuclear structure and a cubic order NLO property.展开更多
Nonlinear optical single crystals of L-phenylalanine-4-nitrophenol have been grown by the slow evaporation method. The grown crystal was subjected to the single crystal X-ray diffraction analysis, to confirm that it b...Nonlinear optical single crystals of L-phenylalanine-4-nitrophenol have been grown by the slow evaporation method. The grown crystal was subjected to the single crystal X-ray diffraction analysis, to confirm that it belongs to the monoclinic crystal structure, with space group P21. The optical transmission study reveals the transparency of the crystal in the entire visible region and the cut off wave length has been found to be 320 nm. The optical band gap is found to be 3.87 eV. The transmittance of the L-phenylalanine-4-nitrophenol crystal has been used to calculate the refractive index (n), the extinction coefficient (K) and the real (εr) and imaginary (εi) components of the dielectric constant. The mechanical behaviour of the grown crystals was studied using Vicker’s microhardness tester. The dielectric constant and dielectric loss of L-phenylalanine-4-nitrophenol are measured in the frequency range of 50 Hz to 5 MHz at different temperatures. The photoconductivity study confirms the negative photoconductive nature of the sample.展开更多
Cadmium dizinc diborate （CdZn2B2O6） single crystals have been grown for the first time. The crystal structure of CdZn2B2O6 is the same as that of the Cd3Zn3B4O12. The x-ray diffraction, infrared and Raman spectra, d...Cadmium dizinc diborate （CdZn2B2O6） single crystals have been grown for the first time. The crystal structure of CdZn2B2O6 is the same as that of the Cd3Zn3B4O12. The x-ray diffraction, infrared and Raman spectra, differential scanning calorimetry analysis and density indicate that the physical and chemical properties of both crystals are very similar. Especially, the nonlinear optical coefficients of CdZn2B2O6 and Cd3Zn3B4O12 crystals are 2.6 and 2.4 times as large as that of KH2PO4 crystal respectively. Chemical etching experiments indicated that these crystals are very stable in neutral solution and not hygroscopic in air at room temperature.展开更多
Sodium paranitrophenolate dihydrate (NPNa·2H2O) is an excellent semiorganic nonlinear optical (NLO) material, crystallizes both in water and methanol with high degree of transparency. Good optical quality single ...Sodium paranitrophenolate dihydrate (NPNa·2H2O) is an excellent semiorganic nonlinear optical (NLO) material, crystallizes both in water and methanol with high degree of transparency. Good optical quality single crystals of dimension upto 18 mm×6 mm×3 mm are obtained by isothermal solvent evaporation technique. The solubility of the crystal in different solvents was measured gravimetrically. The single crystals of NPNa·2H2O show variation in physical properties and growth rate in different solvents. Methanol or ethanol solution yields crystals of bipyramidal shape with clear morphology. However, methanol grown crystal is exhibiting improved hardness parameters and possesses excellent thermal stability as compared to water grown crystals. The effects of solvent on hardness parameter along with thermal and optical properties of NPNa·2H2O was revealed in this paper.展开更多
Bis L-alanine Triethanol amine (BLATEA) salt was synthesized by solution method and it was subjected to solubility studies. Using the solubility data, the saturated solution of the synthesized salt was prepared and si...Bis L-alanine Triethanol amine (BLATEA) salt was synthesized by solution method and it was subjected to solubility studies. Using the solubility data, the saturated solution of the synthesized salt was prepared and single crystals of Bis L-alanine Triethanol amine (BLATEA) were grown from aqueous solution by slow evaporation technique. X-ray diffraction (XRD) study was carried out to confirm the crystal structure. FTIR study reveals the functional groups of the sample. UV-Visible transmittance and absorption spectra were recorded for the sample to analyze the transparency of the grown crystal. Vickers micro hardness values were measured for the sample and from the microhardness study it is observed that BLATEA crystal is a soft material. SHG generation study was carried out to confirm the NLO activity of grown sample and also BLATEA crystal has been analyzed with dielectric展开更多
Hydrothermal reaction of 3-aminopyridine, NaSCN and cadmium cation led to the formation of complex [Cd（3-ampy）（NCS）2]n 1 （3-aminopyridine = 3-ampy）, and its crystal structure was determined by X-ray diffraction ...Hydrothermal reaction of 3-aminopyridine, NaSCN and cadmium cation led to the formation of complex [Cd（3-ampy）（NCS）2]n 1 （3-aminopyridine = 3-ampy）, and its crystal structure was determined by X-ray diffraction analysis. The crystal data for compound 1： C7H6N4S2Cd, orthorhombic Fdd2, Mr = 322.68, Z = 16, a = 26.884（4）, b = 27.445（3）, c = 5.8671（7）A, V = 4329.0（10） A3 Dc= 1.974 g/cm^3, μ= 2.368 mm^-1, F（000） = 2496, R = 0.0203 and wR = 0.0491 for 2347 observed reflections with Ⅰ 〉 2σ（Ⅰ）, and absolute structure parameter is 0.00（3）. X-ray diffraction reveals that the compound consists of interesting two-dimensional wave sheet structure. The photoluminescence spectrum and interesting second-order nonlinear optical （NLO） property for compound 1 have also been studied.展开更多
Nonlinear optical Zinc mixed bisthiourea Cadmium chloride (BTCC) crystals were synthesized and grown by slow evaporation method. The FTIR analysis reveals that the C-N stretching frequencies of thiourea are shifted to...Nonlinear optical Zinc mixed bisthiourea Cadmium chloride (BTCC) crystals were synthesized and grown by slow evaporation method. The FTIR analysis reveals that the C-N stretching frequencies of thiourea are shifted towards the higher frequencies for pure and Zinc mixed BTCC and the C = S stretching frequencies are shifted towards the lower frequencies for pure and Zinc mixed BTCC crystals. These observations suggest that the metals coordinate with thiourea through sulphur. UV-Vis-NIR spectra were recorded to study the optical transparency of the grown crystals. The lower cutoff wavelength is observed at 233 nm for the pure BTCC crystals. There is no comparable change in the lower cutoff wavelength for the Zinc mixed BTCC crystals. The Nonlinear Optical (NLO) efficiency of the pure BTCC crystal decreases with the increase percentage mixing of Zinc. The SHG output for BTCC mixed with 1% zinc chloride is almost 9 times greater than the SHG output obtained for Pottasium Dihydrogen Phosphate (KDP) crystal. Vicker’s microhardness test done on the experimental crystals proves their greater physical strength.展开更多
β-LiZnPO4 single crystal was successfully synthesized via hydrothermal method.It crystallizes in the trigonal space group R3 with a = b = 13.6490 A, c = 9.1123 A, γ = 120.00° andZ = 18. Structure of the crystal...β-LiZnPO4 single crystal was successfully synthesized via hydrothermal method.It crystallizes in the trigonal space group R3 with a = b = 13.6490 A, c = 9.1123 A, γ = 120.00° andZ = 18. Structure of the crystal is constructed by LiO4, ZnO4 and PO4 tetrahedral units to form athree-dimensional （3D） framework. The crystal has a high transmission ranging from 350 to 800nm with UV cut-offedge at 220 nm. The nonlinear optical efficiency of the as-prepared β-LiZnPO4is about 1.2 times as large as that of KDP （KH2PO4） standard. Additionally, band structure anddensity of states calculations for β-LiZnPO4 were performed using the total-energy code CASTEEbased on density functional theory （DFT）.展开更多
基金supported by grants from the 973 Program(2012CB821700)the National Natural Science Foundation of China(21073192,20871114 and 21173223)the Science Foundation of CAS(KJCX2-YW-H20)and of Fujian Province(2009HZ0006-1)
文摘A new tetranuclear cyanide-bridged complex [PPh4]2[NiⅡ（CN）4CuⅠ（PPh3）2]2·2CH3OH （[PPh4]＋ = tetraphenylphosphine cation, PPh3 = triphenylphosphine） 1 has been synthesized and characterized by IR spectroscopy, elemental analysis, electronic absorption spectra and single-crystal X-ray diffraction. This complex crystallizes in triclinic, space group Pí with a = 10.910（5）, b = 15.777（7）, c = 18.275（8）, α = 68.752（12）, β = 79.776（13）, γ = 81.400（14）°, NiCuC65H50N4OP3, Mr = 1122.25, V = 2873（2）3 , Z = 2, Dc = 1.293 g/cm3, F（000） = 1156, μ = 0.826 mm-1, the final R = 0.0755 and wR = 0.2155 for 7324 observed reflections （I 2σ（I））. The title compound exhibits a discrete square tetranuclear structure and a cubic order NLO property.
文摘Nonlinear optical single crystals of L-phenylalanine-4-nitrophenol have been grown by the slow evaporation method. The grown crystal was subjected to the single crystal X-ray diffraction analysis, to confirm that it belongs to the monoclinic crystal structure, with space group P21. The optical transmission study reveals the transparency of the crystal in the entire visible region and the cut off wave length has been found to be 320 nm. The optical band gap is found to be 3.87 eV. The transmittance of the L-phenylalanine-4-nitrophenol crystal has been used to calculate the refractive index (n), the extinction coefficient (K) and the real (εr) and imaginary (εi) components of the dielectric constant. The mechanical behaviour of the grown crystals was studied using Vicker’s microhardness tester. The dielectric constant and dielectric loss of L-phenylalanine-4-nitrophenol are measured in the frequency range of 50 Hz to 5 MHz at different temperatures. The photoconductivity study confirms the negative photoconductive nature of the sample.
基金Supported by the National Natural Science Foundation of China under Grant No 50590402.
文摘Cadmium dizinc diborate （CdZn2B2O6） single crystals have been grown for the first time. The crystal structure of CdZn2B2O6 is the same as that of the Cd3Zn3B4O12. The x-ray diffraction, infrared and Raman spectra, differential scanning calorimetry analysis and density indicate that the physical and chemical properties of both crystals are very similar. Especially, the nonlinear optical coefficients of CdZn2B2O6 and Cd3Zn3B4O12 crystals are 2.6 and 2.4 times as large as that of KH2PO4 crystal respectively. Chemical etching experiments indicated that these crystals are very stable in neutral solution and not hygroscopic in air at room temperature.
文摘Sodium paranitrophenolate dihydrate (NPNa·2H2O) is an excellent semiorganic nonlinear optical (NLO) material, crystallizes both in water and methanol with high degree of transparency. Good optical quality single crystals of dimension upto 18 mm×6 mm×3 mm are obtained by isothermal solvent evaporation technique. The solubility of the crystal in different solvents was measured gravimetrically. The single crystals of NPNa·2H2O show variation in physical properties and growth rate in different solvents. Methanol or ethanol solution yields crystals of bipyramidal shape with clear morphology. However, methanol grown crystal is exhibiting improved hardness parameters and possesses excellent thermal stability as compared to water grown crystals. The effects of solvent on hardness parameter along with thermal and optical properties of NPNa·2H2O was revealed in this paper.
文摘Bis L-alanine Triethanol amine (BLATEA) salt was synthesized by solution method and it was subjected to solubility studies. Using the solubility data, the saturated solution of the synthesized salt was prepared and single crystals of Bis L-alanine Triethanol amine (BLATEA) were grown from aqueous solution by slow evaporation technique. X-ray diffraction (XRD) study was carried out to confirm the crystal structure. FTIR study reveals the functional groups of the sample. UV-Visible transmittance and absorption spectra were recorded for the sample to analyze the transparency of the grown crystal. Vickers micro hardness values were measured for the sample and from the microhardness study it is observed that BLATEA crystal is a soft material. SHG generation study was carried out to confirm the NLO activity of grown sample and also BLATEA crystal has been analyzed with dielectric
基金supported by the Science Foundation for the Excellent Youth Scholars of Higher Education of ShanghaiInnovation Foundation of Shanghai University
文摘Hydrothermal reaction of 3-aminopyridine, NaSCN and cadmium cation led to the formation of complex [Cd（3-ampy）（NCS）2]n 1 （3-aminopyridine = 3-ampy）, and its crystal structure was determined by X-ray diffraction analysis. The crystal data for compound 1： C7H6N4S2Cd, orthorhombic Fdd2, Mr = 322.68, Z = 16, a = 26.884（4）, b = 27.445（3）, c = 5.8671（7）A, V = 4329.0（10） A3 Dc= 1.974 g/cm^3, μ= 2.368 mm^-1, F（000） = 2496, R = 0.0203 and wR = 0.0491 for 2347 observed reflections with Ⅰ 〉 2σ（Ⅰ）, and absolute structure parameter is 0.00（3）. X-ray diffraction reveals that the compound consists of interesting two-dimensional wave sheet structure. The photoluminescence spectrum and interesting second-order nonlinear optical （NLO） property for compound 1 have also been studied.
文摘Nonlinear optical Zinc mixed bisthiourea Cadmium chloride (BTCC) crystals were synthesized and grown by slow evaporation method. The FTIR analysis reveals that the C-N stretching frequencies of thiourea are shifted towards the higher frequencies for pure and Zinc mixed BTCC and the C = S stretching frequencies are shifted towards the lower frequencies for pure and Zinc mixed BTCC crystals. These observations suggest that the metals coordinate with thiourea through sulphur. UV-Vis-NIR spectra were recorded to study the optical transparency of the grown crystals. The lower cutoff wavelength is observed at 233 nm for the pure BTCC crystals. There is no comparable change in the lower cutoff wavelength for the Zinc mixed BTCC crystals. The Nonlinear Optical (NLO) efficiency of the pure BTCC crystal decreases with the increase percentage mixing of Zinc. The SHG output for BTCC mixed with 1% zinc chloride is almost 9 times greater than the SHG output obtained for Pottasium Dihydrogen Phosphate (KDP) crystal. Vicker’s microhardness test done on the experimental crystals proves their greater physical strength.
基金funded by the National Natural Science Foundation of China(51575004)the General Program of Beijing Municipal Education Commission(KM201610009005)
文摘β-LiZnPO4 single crystal was successfully synthesized via hydrothermal method.It crystallizes in the trigonal space group R3 with a = b = 13.6490 A, c = 9.1123 A, γ = 120.00° andZ = 18. Structure of the crystal is constructed by LiO4, ZnO4 and PO4 tetrahedral units to form athree-dimensional （3D） framework. The crystal has a high transmission ranging from 350 to 800nm with UV cut-offedge at 220 nm. The nonlinear optical efficiency of the as-prepared β-LiZnPO4is about 1.2 times as large as that of KDP （KH2PO4） standard. Additionally, band structure anddensity of states calculations for β-LiZnPO4 were performed using the total-energy code CASTEEbased on density functional theory （DFT）.
