The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The...The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The material is synthesized using a solid-state synthesis method at a temperature of 1200˚C. Neutron diffraction data is subjected to Rietveld refinement, and a comparative analysis with X-ray diffraction (XRD) data is performed to unravel the structural details of the material. The findings reveal that the synthesized material exhibits a cubic crystal structure with a Pm-3m phase. The neutron diffraction results offer valuable insights into the arrangement of atoms within the lattice, contributing to a comprehensive understanding of the material’s structural properties. This research enhances our knowledge of CaSrFe0.75</sub>Co0.75</sub>Mn0.5</sub>O6−δ</sub>, with potential implications for its applications in various technological and scientific domains.展开更多
The regioselective Mannich-type aminomethylation of hydroquinone afforded a nitrogen-containing compound, 2,5-bis-(morpholinomethyl)hydroquinone A, and its crystal structure was determined by single-crystal X-ray di...The regioselective Mannich-type aminomethylation of hydroquinone afforded a nitrogen-containing compound, 2,5-bis-(morpholinomethyl)hydroquinone A, and its crystal structure was determined by single-crystal X-ray diffraction. Crystal data for A: C16H24N2O4, Mr = 308.37, orthorhombic, space group Pbca, a = 10.479(4), b = 10.298(4), c = 14.865(5) ?, V = 1604.3(11) ?3, Z = 4, Dc = 1.277 g/cm3, F(000) = 664, μ = 0.092 mm-1, GOF = 1.078, the final R = 0.0508 and wR = 0.1075 for 1416 observed reflections with I > 2σ(I). There exist two intramolecular O–H…N hy- drogen bonds between the phenolic O atoms and the morpholine N donors and the morpholino rings assume the preferred chair conformation.展开更多
Au nanostructures were prepared on uniform Cu2O octahedra and rhombic dodecahedra via the galvanic replacement reaction between HAuCl 4 and Cu2O. The compositions and structures were studied by Scanning Electron Micro...Au nanostructures were prepared on uniform Cu2O octahedra and rhombic dodecahedra via the galvanic replacement reaction between HAuCl 4 and Cu2O. The compositions and structures were studied by Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), High-Resolution Transmission Electron Microscope (HRTEM), X-Ray Diffraction (XRD), X-Ray Absorption Spectroscopy (XAS), X-ray Photoelectron Spectroscopy (XPS) and in-situ DRIFTS spectroscopy of CO adsorption. Different from the formation of Au-Cu alloys on Cu2O cubes by the galvanic replacement reaction (ChemNanoMat 2 (2016) 861-865), metallic Au particles and positively-charged Au clusters form on Cu2O octahedra and rhombic dodecahedra at very small Au loadings and only metallic Au particles form at large Au loadings. Metallic Au particles on Cu2O octahedra and rhombic dodecahedra are more active in catalyzing the liquid phase aerobic oxidation reaction of benzyl alcohol than positively-charged Au clusters. These results demonstrate an obvious morphology effect of Cu2O nanocrystals on the liquid-solid interfacial reactions and prove oxide morphology as an effective strategy to tune the surface reactivity and catalytic performance. (C) 2016 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. and Science Press. All rights reserved.展开更多
The tricyclic compoun d (2) C20H28O6 has been synthesized through thereaction of IMDA. The crystals of the title compound(2A) were crystallized from etherin monoclinic space group C2 with a unit cell: a = 11. 301 (2),...The tricyclic compoun d (2) C20H28O6 has been synthesized through thereaction of IMDA. The crystals of the title compound(2A) were crystallized from etherin monoclinic space group C2 with a unit cell: a = 11. 301 (2), b=11-.863 (3 ), c =29. 59 (1) , β= 101. 02(5)°, V=3894. 246, Dc=1.2413 g/cm3, Z=8, F(000)=1568, Mr= 364. 00 R=0.055, R2=0. 055, μ= 535 cm-1, S(GOF) =0. 571. Theconfiguration of C2a-H in the title compound was found to be contrary to what wasexpected and a possible mechanism of reaction was proposed.展开更多
The research results concerning continuous removal of phosphate (V) ions from solutions containing 1.0 or 0.20 mass % of phosphate (V) ions and 0.2 or 0.5 mg/kg of copper (II) ions using magnesium and ammonium ions ad...The research results concerning continuous removal of phosphate (V) ions from solutions containing 1.0 or 0.20 mass % of phosphate (V) ions and 0.2 or 0.5 mg/kg of copper (II) ions using magnesium and ammonium ions addition are presented. Continuous reaction crystallization of struvite MgNH4PO4 × 6H2O ran both under stoichiometric conditions and at 20% excess of magnesium ions (pH 9, t 900 s). It was concluded, that presence of copper (II) ions in a process system influenced product quality moderately advantageously. Mean size of struvite crystals enlarged by ca. 6% only. Lower concentration of phosphate (V) ions and excess of magnesium ions caused, that products of ca. 9% - 13% larger crystal mean size (up to ca.40mm) were removed from the crystallizer. Presence of struvite crystals and copper (II) hydroxide were detected analytically in the products (Cu in a product varied from 6 to 90 mg/kg). Presence of copper (II) ions favored crystallization of struvite in the form of tubular crystals.展开更多
Reaction crystallization of struvite in water solutions containing 0.20 mass % of phosphate(V) ions by magnesium and ammonium ions addition was investigated experimentally. Process was carried out in DTM type crystall...Reaction crystallization of struvite in water solutions containing 0.20 mass % of phosphate(V) ions by magnesium and ammonium ions addition was investigated experimentally. Process was carried out in DTM type crystallizer with liquid jet pump device in 298 K assuming stoichiometric conditions. Struvite crystals of mean size Lm 5.2-23.0 μm were produced depending on pH (9-11) and mean residence time of suspension in a crystallizer τ (900-3600 s). Under these conditions linear growth rate of struvite crystals (SIG MSMPR kinetic model) decreased 2-time with the increase in pH and 3-time with the elongation of mean residence time of crystal suspension from 7.11×10-9 m/s (pH 9, τ900 s) to 1.65×10-9 m/s (pH 11, τ3600 s). Nucleation rate varied within the 7.9×108-1.8×1010 1/(sm3) limits. Struvite product of maximal linear size exceeded 100 μm with 10 vol. % of < 3 μm fraction corresponded to pH 9 and τ3600 s.展开更多
Novel Schiff bases of H4＇-NOBIN 5a and 5b were synthesized by condensation of 3 with aldehydes. Compound 5b was structurally characterized by single-crystal X-ray diffraction. The asymmetric hetero-Diels-Alder reacti...Novel Schiff bases of H4＇-NOBIN 5a and 5b were synthesized by condensation of 3 with aldehydes. Compound 5b was structurally characterized by single-crystal X-ray diffraction. The asymmetric hetero-Diels-Alder reactions were carried out with high yields and good enantioselectivities in the presence of Ti-（S）-5a complex as catalyst. Crystallographic data for 5b： C27H22BrNO, Mr = 456.37, triclinic, space group P1 with a = 9.1618（2）, b = 10.3836（2）, c = 12.7718（2） А,α=105.4860（10）,β= 94.6360（10）, γ= 108.4610（10）°, V= 1092.32（4）А^3, Z=2, Dc= 1.388 g/cm^3, μ= 1.900 mm^-1, F（000） = 468, R = 0.0476 and wR = 0.1248 for 3092 observed reflections （I〉 2σ（I））.展开更多
Lithium carbonate(Li_(2)CO_(3))stands as a pivotal raw material within the lithium-ion battery industry.Hereby,we propose a solid-liquid reaction crystallization method,employing powdered sodium carbonate instead of i...Lithium carbonate(Li_(2)CO_(3))stands as a pivotal raw material within the lithium-ion battery industry.Hereby,we propose a solid-liquid reaction crystallization method,employing powdered sodium carbonate instead of its solution,which minimizes the water introduction and markedly elevates one-step lithium recovery rate.Through kinetic calculations,the Li_(2)CO_(3)solid-liquid reaction crystallization process conforms by the Avrami equation rather than shrinking core model,which means the dissolution rate of Na_(2)CO_(3)is the most important factor affecting the reaction process.The effects of reaction conditions such as temperature and stirring speed on the Li_(2)CO_(3)precipitation behavior were evaluated.The results indicated that temperature is a most essential parameter than other reaction conditions or stirring speed.The exceptional 93%recovery of Li_(2)CO_(3)at 90℃with a remarkable purity of 99.5%was achieved by using 1.2 M ratio of Na_(2)CO_(3)/Li_(2)SO_(4).This method provides a new idea for the efficient preparation of battery-grade Li_(2)CO_(3).展开更多
文摘The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The material is synthesized using a solid-state synthesis method at a temperature of 1200˚C. Neutron diffraction data is subjected to Rietveld refinement, and a comparative analysis with X-ray diffraction (XRD) data is performed to unravel the structural details of the material. The findings reveal that the synthesized material exhibits a cubic crystal structure with a Pm-3m phase. The neutron diffraction results offer valuable insights into the arrangement of atoms within the lattice, contributing to a comprehensive understanding of the material’s structural properties. This research enhances our knowledge of CaSrFe0.75</sub>Co0.75</sub>Mn0.5</sub>O6−δ</sub>, with potential implications for its applications in various technological and scientific domains.
基金This work was financially supported by the Natural Science Foundation of Tianjin (No. 013606111)
文摘The regioselective Mannich-type aminomethylation of hydroquinone afforded a nitrogen-containing compound, 2,5-bis-(morpholinomethyl)hydroquinone A, and its crystal structure was determined by single-crystal X-ray diffraction. Crystal data for A: C16H24N2O4, Mr = 308.37, orthorhombic, space group Pbca, a = 10.479(4), b = 10.298(4), c = 14.865(5) ?, V = 1604.3(11) ?3, Z = 4, Dc = 1.277 g/cm3, F(000) = 664, μ = 0.092 mm-1, GOF = 1.078, the final R = 0.0508 and wR = 0.1075 for 1416 observed reflections with I > 2σ(I). There exist two intramolecular O–H…N hy- drogen bonds between the phenolic O atoms and the morpholine N donors and the morpholino rings assume the preferred chair conformation.
基金supported by the National Basic Research Program of China(2013CB933104)the National Natural Science Foundation of China(21525313,21173204,21373192,U1332113)+1 种基金MOE Fundamental Research Funds for the Central Universities(WK2060030017)Collaborative Innovation Center of Suzhou Nano Science and Technology
文摘Au nanostructures were prepared on uniform Cu2O octahedra and rhombic dodecahedra via the galvanic replacement reaction between HAuCl 4 and Cu2O. The compositions and structures were studied by Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), High-Resolution Transmission Electron Microscope (HRTEM), X-Ray Diffraction (XRD), X-Ray Absorption Spectroscopy (XAS), X-ray Photoelectron Spectroscopy (XPS) and in-situ DRIFTS spectroscopy of CO adsorption. Different from the formation of Au-Cu alloys on Cu2O cubes by the galvanic replacement reaction (ChemNanoMat 2 (2016) 861-865), metallic Au particles and positively-charged Au clusters form on Cu2O octahedra and rhombic dodecahedra at very small Au loadings and only metallic Au particles form at large Au loadings. Metallic Au particles on Cu2O octahedra and rhombic dodecahedra are more active in catalyzing the liquid phase aerobic oxidation reaction of benzyl alcohol than positively-charged Au clusters. These results demonstrate an obvious morphology effect of Cu2O nanocrystals on the liquid-solid interfacial reactions and prove oxide morphology as an effective strategy to tune the surface reactivity and catalytic performance. (C) 2016 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. and Science Press. All rights reserved.
文摘The tricyclic compoun d (2) C20H28O6 has been synthesized through thereaction of IMDA. The crystals of the title compound(2A) were crystallized from etherin monoclinic space group C2 with a unit cell: a = 11. 301 (2), b=11-.863 (3 ), c =29. 59 (1) , β= 101. 02(5)°, V=3894. 246, Dc=1.2413 g/cm3, Z=8, F(000)=1568, Mr= 364. 00 R=0.055, R2=0. 055, μ= 535 cm-1, S(GOF) =0. 571. Theconfiguration of C2a-H in the title compound was found to be contrary to what wasexpected and a possible mechanism of reaction was proposed.
文摘The research results concerning continuous removal of phosphate (V) ions from solutions containing 1.0 or 0.20 mass % of phosphate (V) ions and 0.2 or 0.5 mg/kg of copper (II) ions using magnesium and ammonium ions addition are presented. Continuous reaction crystallization of struvite MgNH4PO4 × 6H2O ran both under stoichiometric conditions and at 20% excess of magnesium ions (pH 9, t 900 s). It was concluded, that presence of copper (II) ions in a process system influenced product quality moderately advantageously. Mean size of struvite crystals enlarged by ca. 6% only. Lower concentration of phosphate (V) ions and excess of magnesium ions caused, that products of ca. 9% - 13% larger crystal mean size (up to ca.40mm) were removed from the crystallizer. Presence of struvite crystals and copper (II) hydroxide were detected analytically in the products (Cu in a product varied from 6 to 90 mg/kg). Presence of copper (II) ions favored crystallization of struvite in the form of tubular crystals.
文摘Reaction crystallization of struvite in water solutions containing 0.20 mass % of phosphate(V) ions by magnesium and ammonium ions addition was investigated experimentally. Process was carried out in DTM type crystallizer with liquid jet pump device in 298 K assuming stoichiometric conditions. Struvite crystals of mean size Lm 5.2-23.0 μm were produced depending on pH (9-11) and mean residence time of suspension in a crystallizer τ (900-3600 s). Under these conditions linear growth rate of struvite crystals (SIG MSMPR kinetic model) decreased 2-time with the increase in pH and 3-time with the elongation of mean residence time of crystal suspension from 7.11×10-9 m/s (pH 9, τ900 s) to 1.65×10-9 m/s (pH 11, τ3600 s). Nucleation rate varied within the 7.9×108-1.8×1010 1/(sm3) limits. Struvite product of maximal linear size exceeded 100 μm with 10 vol. % of < 3 μm fraction corresponded to pH 9 and τ3600 s.
基金supported by the Natural Science Foundation of Zhejiang Province (No. Y405013)
文摘Novel Schiff bases of H4＇-NOBIN 5a and 5b were synthesized by condensation of 3 with aldehydes. Compound 5b was structurally characterized by single-crystal X-ray diffraction. The asymmetric hetero-Diels-Alder reactions were carried out with high yields and good enantioselectivities in the presence of Ti-（S）-5a complex as catalyst. Crystallographic data for 5b： C27H22BrNO, Mr = 456.37, triclinic, space group P1 with a = 9.1618（2）, b = 10.3836（2）, c = 12.7718（2） А,α=105.4860（10）,β= 94.6360（10）, γ= 108.4610（10）°, V= 1092.32（4）А^3, Z=2, Dc= 1.388 g/cm^3, μ= 1.900 mm^-1, F（000） = 468, R = 0.0476 and wR = 0.1248 for 3092 observed reflections （I〉 2σ（I））.
基金Science and Technology Key Project of Anhui Province,China(grant No.2022e03020004).
文摘Lithium carbonate(Li_(2)CO_(3))stands as a pivotal raw material within the lithium-ion battery industry.Hereby,we propose a solid-liquid reaction crystallization method,employing powdered sodium carbonate instead of its solution,which minimizes the water introduction and markedly elevates one-step lithium recovery rate.Through kinetic calculations,the Li_(2)CO_(3)solid-liquid reaction crystallization process conforms by the Avrami equation rather than shrinking core model,which means the dissolution rate of Na_(2)CO_(3)is the most important factor affecting the reaction process.The effects of reaction conditions such as temperature and stirring speed on the Li_(2)CO_(3)precipitation behavior were evaluated.The results indicated that temperature is a most essential parameter than other reaction conditions or stirring speed.The exceptional 93%recovery of Li_(2)CO_(3)at 90℃with a remarkable purity of 99.5%was achieved by using 1.2 M ratio of Na_(2)CO_(3)/Li_(2)SO_(4).This method provides a new idea for the efficient preparation of battery-grade Li_(2)CO_(3).
