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2021 Volume 40 Issue 7
2021, 40(7): 843-850
doi: 10.14102/j.cnki.0254-5861.2011-3174
Abstract:
A series of clip-shaped cationic molecular corners C1~C4 (C1 = [(bpy)2Pd2(L1)2]2+, C2 = [(dmbpy)2Pd2(L1)2]2+, C3 = (bpy)2Pd2(L2)2]2+, C4 = (dmbpy)2Pd2(L2)2]2+, bpy = 2, 2-bipyridine, dmbpy = 4, 4΄-dimethyl-2, 2-bipyridine) were synthesized through dipalladium complexes [(bpy)2Pd2(NO3)2](NO3)2, [(dmbpy)2Pd2(NO3)2](NO3)2 and bifunctional pyrazole ligands 4-(3, 4-dimethoxyphenyl)-3, 5-dimethyl-1H-pyrazol (HL1) and 4, 4΄-(5-(1H-pyrazol-4-yl)-1, 3-phenylene)dipyridine (HL2). Complexes C1~C4 were characterized by 1H and 13C NMR, electrospray ionization mass spectrometry (ESI-MS), elemental analysis, and IR spectroscopy. The X-ray diffraction analysis of C1∙2NO3− revealed a Pd2 dimetallic clip-shaped structure which was synthesized by two bifunctional ligands doubly bridged by the [(bpy)Pd]2 dimetal units. Additionally, all of the complexes with NO3− as counter anions exhibited high-efficiency catalytical performance in the Suzuki-coupling reaction attributed to the tunable impact and weak dinuclear Pd(Ⅱ)…Pd(Ⅱ) intramolecular bonding interaction.
A series of clip-shaped cationic molecular corners C1~C4 (C1 = [(bpy)2Pd2(L1)2]2+, C2 = [(dmbpy)2Pd2(L1)2]2+, C3 = (bpy)2Pd2(L2)2]2+, C4 = (dmbpy)2Pd2(L2)2]2+, bpy = 2, 2-bipyridine, dmbpy = 4, 4΄-dimethyl-2, 2-bipyridine) were synthesized through dipalladium complexes [(bpy)2Pd2(NO3)2](NO3)2, [(dmbpy)2Pd2(NO3)2](NO3)2 and bifunctional pyrazole ligands 4-(3, 4-dimethoxyphenyl)-3, 5-dimethyl-1H-pyrazol (HL1) and 4, 4΄-(5-(1H-pyrazol-4-yl)-1, 3-phenylene)dipyridine (HL2). Complexes C1~C4 were characterized by 1H and 13C NMR, electrospray ionization mass spectrometry (ESI-MS), elemental analysis, and IR spectroscopy. The X-ray diffraction analysis of C1∙2NO3− revealed a Pd2 dimetallic clip-shaped structure which was synthesized by two bifunctional ligands doubly bridged by the [(bpy)Pd]2 dimetal units. Additionally, all of the complexes with NO3− as counter anions exhibited high-efficiency catalytical performance in the Suzuki-coupling reaction attributed to the tunable impact and weak dinuclear Pd(Ⅱ)…Pd(Ⅱ) intramolecular bonding interaction.
2021, 40(7): 851-856
doi: 10.14102/j.cnki.0254-5861.2011-3076
Abstract:
A new rare earth organic complex with a double interleaved structure, namely [Sm(BDC)1.5(DMF)(H2O)]n (H2BDC = 1, 4-benzenedicarboxylic acid, DMF = N, N΄-dimethyl formamide) was synthesized. The crystal structure is of triclinic, space group P\begin{document}$ \overline 1 $\end{document}
A new rare earth organic complex with a double interleaved structure, namely [Sm(BDC)1.5(DMF)(H2O)]n (H2BDC = 1, 4-benzenedicarboxylic acid, DMF = N, N΄-dimethyl formamide) was synthesized. The crystal structure is of triclinic, space group P
2021, 40(7): 857-864
doi: 10.14102/j.cnki.0254-5861.2011-3089
Abstract:
Two new inorganic-organic hybrid manganese(Ⅱ) halide crystals, namely [BMMIm]2[MnCl4] (1, BMMIm = 1-butyl-2, 3-dimethylimidazolium) and [BMMIm]2[MnBr4] (2), have been obtained simply by heating/stirring with nearly 100% yield. Single-crystal X-ray diffraction (SCXRD) study reveals that 1 crystallizes in triclinic space group of P\begin{document}$ \overline 1 $\end{document}
Two new inorganic-organic hybrid manganese(Ⅱ) halide crystals, namely [BMMIm]2[MnCl4] (1, BMMIm = 1-butyl-2, 3-dimethylimidazolium) and [BMMIm]2[MnBr4] (2), have been obtained simply by heating/stirring with nearly 100% yield. Single-crystal X-ray diffraction (SCXRD) study reveals that 1 crystallizes in triclinic space group of P
2021, 40(7): 865-870
doi: 10.14102/j.cnki.0254-5861.2011-3068
Abstract:
Two new boron imidazolate frameworks (BIFs), Zn2[HBH(2-mim)3]2(1, 2-PEA)2(EG)2 (BIF-120, EG = ethylene glycol) and Zn[BH(2-mim)3](1, 2-HPEA) (BIF-121), were successfully synthesized by mixing the KBH(2-mim)3 ligand and the semirigid aromatic dicarboxylate ligand 1, 2-benzenediacetic acid (1, 2-H2PEA) under solvothermal conditions. In this paper, the two samples were structurally characterized by single-crystal X-ray diffraction and tested by infrared spectroscopy (IR), UV-visible spectroscopy (UV-Vis), thermogravimetric analysis TGA and X-ray powder diffractions. In addition, the solid-state luminescent properties of these crystals were also investigated.
Two new boron imidazolate frameworks (BIFs), Zn2[HBH(2-mim)3]2(1, 2-PEA)2(EG)2 (BIF-120, EG = ethylene glycol) and Zn[BH(2-mim)3](1, 2-HPEA) (BIF-121), were successfully synthesized by mixing the KBH(2-mim)3 ligand and the semirigid aromatic dicarboxylate ligand 1, 2-benzenediacetic acid (1, 2-H2PEA) under solvothermal conditions. In this paper, the two samples were structurally characterized by single-crystal X-ray diffraction and tested by infrared spectroscopy (IR), UV-visible spectroscopy (UV-Vis), thermogravimetric analysis TGA and X-ray powder diffractions. In addition, the solid-state luminescent properties of these crystals were also investigated.
2021, 40(7): 871-877
doi: 10.14102/j.cnki.0254-5861.2011-3060
Abstract:
Two novel coordination polymers Bim(C=O)CuI]2 (1) and [Bim(C=O)CdCl2]2 (2) based on the flexible ligand bis(1H-benzo[d]imidazol-2-yl)methane (Bim) were synthesized via volatilization method. They crystalize in monoclinic and triclinic crystal systems and adopt space group of P21/c and P\begin{document}$ \overline 1 $\end{document}
Two novel coordination polymers Bim(C=O)CuI]2 (1) and [Bim(C=O)CdCl2]2 (2) based on the flexible ligand bis(1H-benzo[d]imidazol-2-yl)methane (Bim) were synthesized via volatilization method. They crystalize in monoclinic and triclinic crystal systems and adopt space group of P21/c and P
2021, 40(7): 878-884
doi: 10.14102/j.cnki.0254-5861.2011-3070
Abstract:
A new binuclear nickel(Ⅱ) complex [Ni2(MBBA)2(HPT)2(H2O)2]·2H2O (1) was synthesized with nickel hydroxide, 2-(4-methylbenzoyl)benzoic acid (HMBBA) and 3-(pyridin-2-yl)-1H-1, 2, 4-triazole (HPT). It crystallizes in the monoclinic space group P21/n with a = 14.5902(13), b = 8.8191(6), c = 17.6120(14) Å, β = 110.830(9)º, V = 2118.0(3) Å3, Mr = 958.26, Dc = 1.503 g/cm3, Z = 2, μ(MoKa) = 0.959, F(000) = 992, the final GOOF = 1.001, R = 0.0353 and wR = 0.09864. Each central Ni(Ⅱ) ion is coordinated by two oxygen and three nitrogen atoms, forming a distorted square pyramidal geometry. The XRD, TG, spectrum analysis and magnetic properties of 1 were studied.
A new binuclear nickel(Ⅱ) complex [Ni2(MBBA)2(HPT)2(H2O)2]·2H2O (1) was synthesized with nickel hydroxide, 2-(4-methylbenzoyl)benzoic acid (HMBBA) and 3-(pyridin-2-yl)-1H-1, 2, 4-triazole (HPT). It crystallizes in the monoclinic space group P21/n with a = 14.5902(13), b = 8.8191(6), c = 17.6120(14) Å, β = 110.830(9)º, V = 2118.0(3) Å3, Mr = 958.26, Dc = 1.503 g/cm3, Z = 2, μ(MoKa) = 0.959, F(000) = 992, the final GOOF = 1.001, R = 0.0353 and wR = 0.09864. Each central Ni(Ⅱ) ion is coordinated by two oxygen and three nitrogen atoms, forming a distorted square pyramidal geometry. The XRD, TG, spectrum analysis and magnetic properties of 1 were studied.
2021, 40(7): 885-891
doi: 10.14102/j.cnki.0254-5861.2011-3071
Abstract:
Two new complexes [Co2(L)(4, 4´-bip)(H2O)3]n (1) and {[Co(L´)2(phen)]·2H2O)}n (2) (H4L = 1-(3, 5-dicarboxybenzyl)-3, 5-pyrazole dicarboxylic acid, H3L´ = 1-(3, 5-dicarboxybenzyl)-3-pyrazole carboxylic acid, 4, 4´-bip = 4, 4´-bis(1-imidazolyl)biphenyl, phen = 1, 10-phenanthroline) were synthesized. Complexes 1 and 2 have been characterized by IR spectrography, X-ray single-crystal diffraction, elemental analysis and thermogravimetry. 1 crystallizes in monoclinic system, space group P21/c. Complex 2 crystallizes in monoclinic system, space group I2/a. It is remarkable that in situ hydrothermal decarboxylation was observed during preparing complex 2. In addition, magnetic analysis indicates that antiferromagnetic interaction exists among Co(Ⅱ) ions in complexes 1 and 2.
Two new complexes [Co2(L)(4, 4´-bip)(H2O)3]n (1) and {[Co(L´)2(phen)]·2H2O)}n (2) (H4L = 1-(3, 5-dicarboxybenzyl)-3, 5-pyrazole dicarboxylic acid, H3L´ = 1-(3, 5-dicarboxybenzyl)-3-pyrazole carboxylic acid, 4, 4´-bip = 4, 4´-bis(1-imidazolyl)biphenyl, phen = 1, 10-phenanthroline) were synthesized. Complexes 1 and 2 have been characterized by IR spectrography, X-ray single-crystal diffraction, elemental analysis and thermogravimetry. 1 crystallizes in monoclinic system, space group P21/c. Complex 2 crystallizes in monoclinic system, space group I2/a. It is remarkable that in situ hydrothermal decarboxylation was observed during preparing complex 2. In addition, magnetic analysis indicates that antiferromagnetic interaction exists among Co(Ⅱ) ions in complexes 1 and 2.
2021, 40(7): 892-900
doi: 10.14102/j.cnki.0254-5861.2011-3034
Abstract:
Pure phase Y3Fe5O12 (YIG) ceramic was successfully produced by tape-casting forming process and one-step solid-state sintering method. The activation energy for densification was calculated to be 183.81 kJ/mol. Pure YIG ceramic with a relative density as high as 99.8% was fabricated. The existence of O vacancy and Fe2+ ions was determined by XPS and EPR spectra. The RT saturation magnetization was measured to be 28.2 emu/g, and the hysteresis loss was calculated to be smaller than 10 mJ/kg in the temperature range of 230~360 K and be as high as 238.8 mJ/kg at 30 K. The dielectric loss tangent tan\begin{document}$ {\delta }_{\varepsilon } $\end{document} \begin{document}$ {\delta }_{\mu } $\end{document} \begin{document}$ {\delta }_{\varepsilon } $\end{document} \begin{document}$ {\delta }_{\mu } $\end{document}
Pure phase Y3Fe5O12 (YIG) ceramic was successfully produced by tape-casting forming process and one-step solid-state sintering method. The activation energy for densification was calculated to be 183.81 kJ/mol. Pure YIG ceramic with a relative density as high as 99.8% was fabricated. The existence of O vacancy and Fe2+ ions was determined by XPS and EPR spectra. The RT saturation magnetization was measured to be 28.2 emu/g, and the hysteresis loss was calculated to be smaller than 10 mJ/kg in the temperature range of 230~360 K and be as high as 238.8 mJ/kg at 30 K. The dielectric loss tangent tan
2021, 40(7): 901-907
doi: 10.14102/j.cnki.0254-5861.2011-3055
Abstract:
Dehydrogenation coupling of methane (DCM), which can be effectively used to produce low carbon alkenes, has the advantages of rich raw materials, simple reaction device, low energy consumption, etc. Herein, we report a series of Co doped perovskite porous-dense BaCe0.9Y0.1CoxO3-δ (BCYCx) membrane for DCM. After treatment in a reduced atmosphere, a large number of Co nanoparticles will exsolute on the surface of BCY. The metal-oxide interface is helpful to activate the C–H bonds, inhibit the carbon deposition, and so on. The XRD, SEM and XPS prove that Co nanoparticles homogeneously distributed on the BCYCx porous layers, which will create a large quantity of catalytic active sites. At 1100 ℃, the highest concentration of C2 product was 5.66% (5.25% ethane + 0.41% ethylene) in output gas when methane conversion reaches a maximum value of 24.8%, and the C2 selectivity gets to 45.6%. We further demonstrate the catalytic performance of high-temperature DCM without obvious decrease after running for 30 hours.
Dehydrogenation coupling of methane (DCM), which can be effectively used to produce low carbon alkenes, has the advantages of rich raw materials, simple reaction device, low energy consumption, etc. Herein, we report a series of Co doped perovskite porous-dense BaCe0.9Y0.1CoxO3-δ (BCYCx) membrane for DCM. After treatment in a reduced atmosphere, a large number of Co nanoparticles will exsolute on the surface of BCY. The metal-oxide interface is helpful to activate the C–H bonds, inhibit the carbon deposition, and so on. The XRD, SEM and XPS prove that Co nanoparticles homogeneously distributed on the BCYCx porous layers, which will create a large quantity of catalytic active sites. At 1100 ℃, the highest concentration of C2 product was 5.66% (5.25% ethane + 0.41% ethylene) in output gas when methane conversion reaches a maximum value of 24.8%, and the C2 selectivity gets to 45.6%. We further demonstrate the catalytic performance of high-temperature DCM without obvious decrease after running for 30 hours.
2021, 40(7): 908-918
doi: 10.14102/j.cnki.0254–5861.2011–3063
Abstract:
Aqueous Mg-ion batteries (MIBs) are safe, non-toxic and low-cost. Magnesium has a high theoretical specific capacity with its ion radius close to that of lithium. Therefore, aqueous magnesium ion batteries have great research advantages in green energy. To acquire the best electrode materials for aqueous magnesium ion batteries, it is necessary for the structural design in material. Fe2O3 is an anode material commonly used in Li-ion battery. However, the nano-cube Fe2O3 combined with graphene hydrogels (GH) can be successfully prepared and employed as an anode, which is seldom researched in the aqueous batteries system. The Fe2O3/GH is used as anode in the dual MgSO4 + FeSO4 aqueous electrolyte, avoiding the irreversible deintercalation of magnesium ions. In addition, the Fe element in anode material can form the Fe3+/Fe2+ and Fe2+/Fe3+ redox pairs in the MgSO4 + FeSO4 electrolyte. Thus, the reversible insertion/(de)insertion of magnesium and iron ions into/from the host anode material can be simultaneously achieved. After the initial charge, the anodic structure is changed to be more stable, avoiding the formation of MgO. The Fe2O3/GH demonstrates high rate properties and reversible capacities of 198, 151, 121, 80, 75 and 27 mAh g−1 at 50, 100, 200, 300, 500 and 1000 mA g−1 correspondingly.
Aqueous Mg-ion batteries (MIBs) are safe, non-toxic and low-cost. Magnesium has a high theoretical specific capacity with its ion radius close to that of lithium. Therefore, aqueous magnesium ion batteries have great research advantages in green energy. To acquire the best electrode materials for aqueous magnesium ion batteries, it is necessary for the structural design in material. Fe2O3 is an anode material commonly used in Li-ion battery. However, the nano-cube Fe2O3 combined with graphene hydrogels (GH) can be successfully prepared and employed as an anode, which is seldom researched in the aqueous batteries system. The Fe2O3/GH is used as anode in the dual MgSO4 + FeSO4 aqueous electrolyte, avoiding the irreversible deintercalation of magnesium ions. In addition, the Fe element in anode material can form the Fe3+/Fe2+ and Fe2+/Fe3+ redox pairs in the MgSO4 + FeSO4 electrolyte. Thus, the reversible insertion/(de)insertion of magnesium and iron ions into/from the host anode material can be simultaneously achieved. After the initial charge, the anodic structure is changed to be more stable, avoiding the formation of MgO. The Fe2O3/GH demonstrates high rate properties and reversible capacities of 198, 151, 121, 80, 75 and 27 mAh g−1 at 50, 100, 200, 300, 500 and 1000 mA g−1 correspondingly.
2021, 40(7): 919-925
doi: 10.14102/j.cnki.0254–5861.2011–3066
Abstract:
A new crystal, Ca2(Al1.8Ga0.2)SiO7, was obtained by substituting Ga3+ ions for some Al3+ ions in Ca2Al2SiO7 crystal. The growth, structure and optical spectroscopic properties of Cr4+-doped Ca2(Al1.8Ga0.2)SiO7 were studied. It shows strong absorption at 693 and 762 nm and a broad emission band with peak wavelength at 1223 nm. Both the absorption and emission peaks of Cr4+-doped Ca2(Al1.8Ga0.2)SiO7 crystal are red-shifted in comparison with that of Cr4+-doped Ca2Al2SiO7 crystal due to its weaker lattice field. The investigation results show that there is only one kind of tetrahedral site for Cr4+ occupation in the lattice of Ca2(Al1.8Ga0.2)SiO7 crystal.
A new crystal, Ca2(Al1.8Ga0.2)SiO7, was obtained by substituting Ga3+ ions for some Al3+ ions in Ca2Al2SiO7 crystal. The growth, structure and optical spectroscopic properties of Cr4+-doped Ca2(Al1.8Ga0.2)SiO7 were studied. It shows strong absorption at 693 and 762 nm and a broad emission band with peak wavelength at 1223 nm. Both the absorption and emission peaks of Cr4+-doped Ca2(Al1.8Ga0.2)SiO7 crystal are red-shifted in comparison with that of Cr4+-doped Ca2Al2SiO7 crystal due to its weaker lattice field. The investigation results show that there is only one kind of tetrahedral site for Cr4+ occupation in the lattice of Ca2(Al1.8Ga0.2)SiO7 crystal.
2021, 40(7): 926-932
doi: 10.14102/j.cnki.0254–5861.2011–3106
Abstract:
Exploring high-capacity electrode materials is critical for the development of K-ion batteries. In this work, we report a layered-structured tungsten selenide (WSe2) anode, which not only delivers an ultrahigh volumetric capacity of 1772.8 Ah/L (or 188.4 mAh/g) at a current density of 5 mA/g but also exhibits good rate capability (72 mAh/g at 200 mA/g) and cycling stability (83.14% capacity retention over 100 cycles at 100 mA/g). We have also revealed the underlying reaction mechanism through ex situ X-ray powder diffraction. Furthermore, proof-of-concept full-cell batteries comprising of WSe2 anodes and Prussian Blue cathodes are capable of delivering an energy density of 135.2 Wh/kgcathode+anode. This work highlights the potential of WSe2 as a promising high-volumetric-capacity anode material for rechargeable potassium-ion batteries.
Exploring high-capacity electrode materials is critical for the development of K-ion batteries. In this work, we report a layered-structured tungsten selenide (WSe2) anode, which not only delivers an ultrahigh volumetric capacity of 1772.8 Ah/L (or 188.4 mAh/g) at a current density of 5 mA/g but also exhibits good rate capability (72 mAh/g at 200 mA/g) and cycling stability (83.14% capacity retention over 100 cycles at 100 mA/g). We have also revealed the underlying reaction mechanism through ex situ X-ray powder diffraction. Furthermore, proof-of-concept full-cell batteries comprising of WSe2 anodes and Prussian Blue cathodes are capable of delivering an energy density of 135.2 Wh/kgcathode+anode. This work highlights the potential of WSe2 as a promising high-volumetric-capacity anode material for rechargeable potassium-ion batteries.
2021, 40(7): 933-941
doi: 10.14102/j.cnki.0254–5861.2011–3082
Abstract:
Malignant tumor is one of the major diseases that seriously threaten human health today. Compared with traditional chemotherapy, targeted drug therapy has become a new idea of tumor therapy. And EGFR (epidermal growth factor receptor) is highly expressed in many human tumor cell lines, which is a biomarker of tumor proliferation. In this paper, small molecule tyrosine kinase inhibitors with quinazoline structure aiming at EGFR were studied. A series of novel quinazoline derivatives (4a~4l) have been designed and synthesized from 4-hydroxyquinazoline as the parent core. Structures of target compounds were characterized by 1H NMR and 13C NMR spectra. The in vitro anticancer activity of compounds 4a~4l was evaluated by MTT assay against Hela, MCF-7 and A549 tumor cell lines, and apoptosis-inducing capacity was investigated by Annexin-V/PI staining assay. The results showed that all compounds had good antitumor activity against the test tumor cell lines. Especially, compound 4a exhibited the best anticancer activity (IC50 = 10.23 μM) against Hela cell lines, remarkable ability to induce apoptosis, and low toxicity, which identified 4a as a promising anticancer drug aiming at EFGR.
Malignant tumor is one of the major diseases that seriously threaten human health today. Compared with traditional chemotherapy, targeted drug therapy has become a new idea of tumor therapy. And EGFR (epidermal growth factor receptor) is highly expressed in many human tumor cell lines, which is a biomarker of tumor proliferation. In this paper, small molecule tyrosine kinase inhibitors with quinazoline structure aiming at EGFR were studied. A series of novel quinazoline derivatives (4a~4l) have been designed and synthesized from 4-hydroxyquinazoline as the parent core. Structures of target compounds were characterized by 1H NMR and 13C NMR spectra. The in vitro anticancer activity of compounds 4a~4l was evaluated by MTT assay against Hela, MCF-7 and A549 tumor cell lines, and apoptosis-inducing capacity was investigated by Annexin-V/PI staining assay. The results showed that all compounds had good antitumor activity against the test tumor cell lines. Especially, compound 4a exhibited the best anticancer activity (IC50 = 10.23 μM) against Hela cell lines, remarkable ability to induce apoptosis, and low toxicity, which identified 4a as a promising anticancer drug aiming at EFGR.
2021, 40(7): 942-948
doi: 10.14102/j.cnki.0254–5861.2011–3061
Abstract:
In this paper, eight 4-(1, 2, 4-triazole-5-yl) furazan (TZFZ) derivatives were designed, and the molecular configurations of TZFZ compounds were optimized by using the B3LYP/6-311+G* level. Meanwhile, the detonation performance, density, impact sensitivity, heat of formation and oxygen balance have been investigated. The results clearly and intuitively illustrate that the introduction of -NO2 and coordination oxygen plays a pivotal role in increasing the density and heat of formation. In summary, the properties of these compounds are better than the traditional explosives RDX and TNT, especially the density and detonation pressure. Energetic evaluations showed that compounds B1 (P = 36.73 GPa; D = 8.98 km·s-1, ρ = 1.88 g·cm-3) and B7 (P = 38.51 GPa; D = 9.17 km·s-1, ρ = 1.90 g·cm-3) could be seen as promising candidates of energetic insensitive compounds with remarkable performance.
In this paper, eight 4-(1, 2, 4-triazole-5-yl) furazan (TZFZ) derivatives were designed, and the molecular configurations of TZFZ compounds were optimized by using the B3LYP/6-311+G* level. Meanwhile, the detonation performance, density, impact sensitivity, heat of formation and oxygen balance have been investigated. The results clearly and intuitively illustrate that the introduction of -NO2 and coordination oxygen plays a pivotal role in increasing the density and heat of formation. In summary, the properties of these compounds are better than the traditional explosives RDX and TNT, especially the density and detonation pressure. Energetic evaluations showed that compounds B1 (P = 36.73 GPa; D = 8.98 km·s-1, ρ = 1.88 g·cm-3) and B7 (P = 38.51 GPa; D = 9.17 km·s-1, ρ = 1.90 g·cm-3) could be seen as promising candidates of energetic insensitive compounds with remarkable performance.
2021, 40(7): 949-954
doi: 10.14102/j.cnki.0254–5861.2011–3047
Abstract:
In this paper, a non-centrosymmetric compound of Rb2Ca2(SO4)3 has been synthesized by a high temperature solid-state reaction and high temperature melting method. Single-crystal X-ray diffraction analysis shows that Rb2Ca2(SO4)3 crystallizes in the cubic space group of P213, and its cell parameters are a = b = c = 10.5569(6) Å, Z = 4 and V = 1176.55(12) Å3, respectively. In the crystal structure, SO4 tetrahedra and CaO6 octahedra are connected with each other by a corner-sharing mode to construct the three-dimensional framework of Rb2Ca2(SO4)3. Optical measurements show that the title compound has a short ultraviolet absorption edge and a moderate second-harmonic generation response. The optical origin is illustrated by the electron band structure calculation. In addition, thermal stability is also studied by virtue of differential thermal/thermogravimetric analysis and powder XRD technique.
In this paper, a non-centrosymmetric compound of Rb2Ca2(SO4)3 has been synthesized by a high temperature solid-state reaction and high temperature melting method. Single-crystal X-ray diffraction analysis shows that Rb2Ca2(SO4)3 crystallizes in the cubic space group of P213, and its cell parameters are a = b = c = 10.5569(6) Å, Z = 4 and V = 1176.55(12) Å3, respectively. In the crystal structure, SO4 tetrahedra and CaO6 octahedra are connected with each other by a corner-sharing mode to construct the three-dimensional framework of Rb2Ca2(SO4)3. Optical measurements show that the title compound has a short ultraviolet absorption edge and a moderate second-harmonic generation response. The optical origin is illustrated by the electron band structure calculation. In addition, thermal stability is also studied by virtue of differential thermal/thermogravimetric analysis and powder XRD technique.
2021, 40(7): 955-961
doi: 10.14102/j.cnki.0254–5861.2011–3058
Abstract:
A new 3D supramolecular complex, namely dimethylammonium 4, 4΄-([2, 2΄-bipyrimidine]-5, 5΄-diyl)bis(2-hydroxybenzoate) dihydrate, has been synthesized by the reaction of 4, 4΄-([2, 2΄-bipyrimidine]-5, 5΄-diyl)bis(2-hydroxybenzoic acid) with aqueous dimethylamine solution and characterized by single-crystal X-ray diffraction, 1H NMR spectroscopy and elemental analysis. It belongs to triclinic system, space groupP\begin{document}$ \overline 1 $\end{document}
A new 3D supramolecular complex, namely dimethylammonium 4, 4΄-([2, 2΄-bipyrimidine]-5, 5΄-diyl)bis(2-hydroxybenzoate) dihydrate, has been synthesized by the reaction of 4, 4΄-([2, 2΄-bipyrimidine]-5, 5΄-diyl)bis(2-hydroxybenzoic acid) with aqueous dimethylamine solution and characterized by single-crystal X-ray diffraction, 1H NMR spectroscopy and elemental analysis. It belongs to triclinic system, space groupP
2021, 40(7): 962-966
doi: 10.14102/j.cnki.0254–5861.2011–3048
Abstract:
A new quaternary selenide Ba4Sn3GeSe9 was synthesized by high temperature solid state reaction method and fully characterized by elemental analysis, UV-vis spectrum, and single-crystal X-ray diffraction. The title compound crystallizes in the orthorhombic space group Pnma with a = 12.463(3), b = 9.308(2) and c = 17.892(5) Å. Ba4Sn3GeSe9 can be characterized by a zero-dimensional compound composed by special [GeSnSe5]4- units, [Sn2Se4]4- units and the adjacent cations Ba2+ ions. The [GeSnSe5]4- unit is composed of a SnSe3 trigonal pyramid formed by divalent Sn2+ and edge-sharing with a GeSe4 tetrahedron, and the [Sn2Se4]4- unit is composed of two SnSe3 trigonal pyramids. Ba4Sn3GeSe9 is an indirect semiconductor with a band gap of 1.21 eV.
A new quaternary selenide Ba4Sn3GeSe9 was synthesized by high temperature solid state reaction method and fully characterized by elemental analysis, UV-vis spectrum, and single-crystal X-ray diffraction. The title compound crystallizes in the orthorhombic space group Pnma with a = 12.463(3), b = 9.308(2) and c = 17.892(5) Å. Ba4Sn3GeSe9 can be characterized by a zero-dimensional compound composed by special [GeSnSe5]4- units, [Sn2Se4]4- units and the adjacent cations Ba2+ ions. The [GeSnSe5]4- unit is composed of a SnSe3 trigonal pyramid formed by divalent Sn2+ and edge-sharing with a GeSe4 tetrahedron, and the [Sn2Se4]4- unit is composed of two SnSe3 trigonal pyramids. Ba4Sn3GeSe9 is an indirect semiconductor with a band gap of 1.21 eV.
