The space group of [(H2O)(C3H4N2)(O2CCH=CHCO2Zn)]n, which was originally described in the acentric Pc space group (Liu et al., Chin. J. Struct. Chem. 2004, 23, 160～163), is re-described in the centric P21/c space g...The space group of [(H2O)(C3H4N2)(O2CCH=CHCO2Zn)]n, which was originally described in the acentric Pc space group (Liu et al., Chin. J. Struct. Chem. 2004, 23, 160～163), is re-described in the centric P21/c space group.展开更多
The Preparation of 9-Methyl-3-thiophen-2-yl-thieno [3, 2-e] [1, 2, 4] triazolo [4, 3-c] pyrimi-dine-8-carboxylic acid ethyl ester is described. Elemental analysis, IR spectrum, 1H NMR, 13C NMR and X-ray crystal struct...The Preparation of 9-Methyl-3-thiophen-2-yl-thieno [3, 2-e] [1, 2, 4] triazolo [4, 3-c] pyrimi-dine-8-carboxylic acid ethyl ester is described. Elemental analysis, IR spectrum, 1H NMR, 13C NMR and X-ray crystal structure analyses were carried out to determine the composition and molecular structure of the title compound. There are two independent molecules in the asymmetric unit exhibiting intermolecular C-H…N, C-H…O interactions with additional π-π interaction that further helps in stabilizing the supramolecular structure. The results showed that the proposed method for synthesis is simple, precise and accurate which was further confirmed by crystal structure analysis.展开更多
MoS_2-decorated C_3N_4(C_3N_4/MoS_2) nanosheets hybrid photocatalysts were prepared by a simple sonication-impregnation method. Face-to-face lamellar heterojunctions were well established between two dimension(2D) C_3...MoS_2-decorated C_3N_4(C_3N_4/MoS_2) nanosheets hybrid photocatalysts were prepared by a simple sonication-impregnation method. Face-to-face lamellar heterojunctions were well established between two dimension(2D) C_3N_4 and MoS_2 nanosheets. The effects of MoS_2 content on the light absorption, charge transfer and photocatalytic activity of the hybrid samples were investigated. Characterization results show that MoS_2 nanosheets are well anchored on the face of C_3N_4 nanosheets and the composites have well dispersed layered morphology. After loading with MoS_2, the light absorption of composites was much improved, especially in visible-light region. The photocatalytic activities of C_3N_4/MoS_2 samples were evaluated based on the H_2 evolution under visible light irradiation(λ > 400 nm). When the loading amount of MoS_2 was increased to 5 wt%, the highest H_2 evolution rate(274 μmol·g^(-1)·h^(-1)) was obtained. Compared with samples obtained from direct impregnation method, sonication pretreatment is favorable for the formation of 2D layered heterojuctions and thus improve the photocatalytic activity. Slightly deactivation of C_3N_4/MoS_2 composites could be observed when recycled due to the mild photocorrosion of MoS_2. Based on the band alignments of C_3N_4 and MoS_2, a possible photocatalytic mechanism was discussed, where MoS_2 could efficiently promote the separation of the photogenerated carriers of C_3N_4.展开更多
The Paleocene coals of the Salt Range in the Punjab Province of Pakistan have great economic potential;however,their trace element and stable isotopic characteristics have not been studied in detail except for a few s...The Paleocene coals of the Salt Range in the Punjab Province of Pakistan have great economic potential;however,their trace element and stable isotopic characteristics have not been studied in detail except for a few sporadic samples.In this study,a total of 59 coal samples of which 14 are obtained from open cast mines have been investigated for elemental composition andδ^(13)C-δ^(15)N isotopic signatures.Average contents of trace elements such as Co,Cr,Cu,Pb,Sr,Th,U,V,and Zn are 7.4,41.7,11.2,12.5,90.2,4.0,1.9,128,and 31.1 mg/kg,respectively.These values,when compared with the World Coal Clarke values,were relatively higher in low-rank coals in comparison with Clarke values for brown coals.Likewise,As(20.4 mg/kg),Co(6.6 mg/kg),Cr(22.4 mg/kg),Cu(^(13).3 mg/kg),Pb(19.2 mg/kg),Sr(^(15)4.7 mg/kg),Th(2.5 mg/kg),V(47.8 mg/kg),and Zn(75.1 mg/kg)were significantly higher in the sub-bituminous to bituminous coals of the Salt Range.Mineralogical analysis,based on X-ray diffraction and energy dispersive X-ray spectroscopy,revealed that the studied samples contain illite,kaolinite calcite,gypsum,pyrite,and quartz.Elemental affinity with organic and inorganic phases of coals calculated by an indirect statistical approach indicated a positive association of ash content with Ag,Al,Co,Cr,Cs,Cu,Mn,P,Rb,Pb,Th,U,and V,suggesting the presence of inorganic components in studied coals.However,As,Fe,Sr,and Zn exhibit negative correlations that imply their association with the organic fraction.Theδ^(13)C andδ^(15)N isotopic range and average−24.94‰to−25.86‰(−25.41‰)and−2.77‰to 3.22‰(0.96‰),respectively,reflecting 3C type modern terrestrial vegetation were common in the palaeomires of studied coal seams.In addition,the trivial variations of 0.92‰and 0.45‰among^(13)C and^(15)N values can be attributed to water level fluctuations and plant assemblies.展开更多
Y_2(p-CH_3C_6H_4COO)_6(C_(12)H_8N_2)_2, Mr=1349.08, triclinic, space group P, a=13.00(3), b=19.743(2), c=12.754(3)A, α=97.94(1), β=106.24(2), γ=91.66(1)°, V=3177(1)~3, Z=2, Dc=1.41gcm^(-3), λ(MoKα)=0.71069, ...Y_2(p-CH_3C_6H_4COO)_6(C_(12)H_8N_2)_2, Mr=1349.08, triclinic, space group P, a=13.00(3), b=19.743(2), c=12.754(3)A, α=97.94(1), β=106.24(2), γ=91.66(1)°, V=3177(1)~3, Z=2, Dc=1.41gcm^(-3), λ(MoKα)=0.71069, μ=18.92 cm^(-1), F(ooo)=1384, T=295K, final R=0.073 for 6504 observed reflections with Ⅰ>36(Ⅰ). There are two nonidentical binuclear molecules with different bridging connection patterns in a cell. One has four bridging carboxyl groups bound two Y(Ⅲ) ions and another only has two. The Y-Y distance is 4.196 for the former and 5.302 for the latter respectively.展开更多
The circular chromatic number of a graph is a natural generalization of the chromatic number. Circular chromatic number contains more information about the structure of a graph than chromatic number does. In this pape...The circular chromatic number of a graph is a natural generalization of the chromatic number. Circular chromatic number contains more information about the structure of a graph than chromatic number does. In this paper we obtain the circular chromatic numbers of special graphs such as C t k and C t k-v, and give a simple proof of the circular chromatic number of H m,n .展开更多
The development of catalytic carbonylation reactions has increased considerably.Although many reviews/chapters/books on carbonylation reactions have been published,summaries on cheap metal-catalyzed catalytic carbonyl...The development of catalytic carbonylation reactions has increased considerably.Although many reviews/chapters/books on carbonylation reactions have been published,summaries on cheap metal-catalyzed catalytic carbonylation reactions of aryl halides and other chemical bonds with high dissociation energy C–Y(Y¼O,N,H)are still very rare.Focusing on green and sustainable chemistry,this review summarizes and discusses the achievements on carbonylative transformations of aryl halides(C(sp2)–X)and strong bonds C–Y(Y¼O,N,H)based on non-expensive metal catalysts(Co,Mn,Mo,Ni,Fe,Cu),photochemical and electrochemical systems developed in recent decades.展开更多
Regarding the research on alternatives for monopropellant hydrazine, several so called green propellants are currently under investigation or qualification. Aside others, the DLR Institute of Space Propulsion investig...Regarding the research on alternatives for monopropellant hydrazine, several so called green propellants are currently under investigation or qualification. Aside others, the DLR Institute of Space Propulsion investigates a N20/C2I-I4 premixed green propellant. During the research activities, flashback from the rocket combustion chamber into the feeding system has been identified as a major challenge when using the propellant mixture. This paper shows the results of ignition experiments conducted in a cylindrical, optical accessible ignition chamber. During the ignition and flame propagation process, pressure, temperature and high-speed video data were collected. The high speed video data were used to analyze the flame propagation speed. The obtained propagation speed was about 20 rn/s at ignition, while during further propagation of the flame speeds of up to 120 m/s were measured. Additionally, two different porous materials as flame arresting elements were tested： Porous stainless steel and porous bronze material. For both materials Peclet numbers for flashback were derived. The critical Peclet number for the sintered bronze material was around 20, while for the sintered stainless steel the critical Peclet number seems to be larger than 40. Due to the test results, sintered porous materials seem to be suitable as flashback arresters.展开更多
Nano-sized caiboxylales Na2C7H3NO4 and Na2C6H2N2O4 were prepared and investigated as anode materials for lithium-ion batteries.Both carboxylates exhibit high reversible capacities around 190 mAh/g above a cut-off volt...Nano-sized caiboxylales Na2C7H3NO4 and Na2C6H2N2O4 were prepared and investigated as anode materials for lithium-ion batteries.Both carboxylates exhibit high reversible capacities around 190 mAh/g above a cut-off voltage of 0.8 V vs.Li＋/Li.potentially improving the safety of the batteries.In addition,good rate performance and long cycle life of these carboxylates make them promising candidates as anode materials for lithium-ion batteries.展开更多
A bimodal mesoporous silica(BMMS) modified with amphiphilic compound(C_(19)H_(42)N)_3(PMo_(12)O_(40))(CTA-PMO) was prepared by the two-step impregnation method. Firstly, H3PMo12O40 was introduced into the bimodal meso...A bimodal mesoporous silica(BMMS) modified with amphiphilic compound(C_(19)H_(42)N)_3(PMo_(12)O_(40))(CTA-PMO) was prepared by the two-step impregnation method. Firstly, H3PMo12O40 was introduced into the bimodal mesoporous silica via impregnation, then C_(19)H_(42)NBr(CTAB) was grafted on the surface of BMMS containing H3PMo12O40 based on the chemical reaction between quaternary ammonium compound and the phosphomolybdic acid, and then the catalyst CTAPMO/BMMS was obtained. The samples were characterized by XRD, N_2 adsorption and desorption, FTIR, 31P-NMR, 29Si-NMR and TEM analyses. It is shown that the catalyst has a typical bimodal mesoporous structure, in which the small mesopore diameter is about 3.0 nm and the large mesopore diameter is about 5.0 nm. The chemical interaction happens between the Keggin structure and silica group of BMMS. Compared with the mono-modal porous Hβ and SBA-15 zeolites modified with CTA-PMO, CTA-PMO/BMMS showed better catalytic activity in the oxidative conversion of dibenzothiophene(DBT), and the desulfurization rate can reach about 94% with the help of extraction, and the catalyst can be separated by filtration and reused directly. The catalytic oxidative desulfurization mechanism on CTA-PMO/BMMS was proposed and verified.展开更多
The novel copper?complex with salicylaldehyde benzoylhydrazone and pyridine ligands, Cu(C14H10N2O2)(C5H5N), has been synthesized and characterized by elemental analysis, IR and thermal analysis. The crystal structure ...The novel copper?complex with salicylaldehyde benzoylhydrazone and pyridine ligands, Cu(C14H10N2O2)(C5H5N), has been synthesized and characterized by elemental analysis, IR and thermal analysis. The crystal structure of the title complex has been determined by single crystal X ray diffraction techniques. The crystal belongs to monoclinic with space group P21/c. The cell parameters are: a=1.6362(9)nm, b=1.7140(9)nm, c=1.2255(7)nm, β=105.168(9)°, V=3.317(3)nm3, Z=8, Dc=1.525g·cm-3, μ(MoKα)=1.334mm-1, F(000)=1560. The structure wasrefined to final R1=0.0376, wR2=0.0909. The copper?ion lies in a distorted square planar environment composed of two oxygen atoms, one nitrogen atom of tridentate acyhydrazone Schiff base ligand and one nitrogen atom of the pyridine ligand. CCDC: 193111.展开更多
文摘The space group of [(H2O)(C3H4N2)(O2CCH=CHCO2Zn)]n, which was originally described in the acentric Pc space group (Liu et al., Chin. J. Struct. Chem. 2004, 23, 160～163), is re-described in the centric P21/c space group.
文摘The Preparation of 9-Methyl-3-thiophen-2-yl-thieno [3, 2-e] [1, 2, 4] triazolo [4, 3-c] pyrimi-dine-8-carboxylic acid ethyl ester is described. Elemental analysis, IR spectrum, 1H NMR, 13C NMR and X-ray crystal structure analyses were carried out to determine the composition and molecular structure of the title compound. There are two independent molecules in the asymmetric unit exhibiting intermolecular C-H…N, C-H…O interactions with additional π-π interaction that further helps in stabilizing the supramolecular structure. The results showed that the proposed method for synthesis is simple, precise and accurate which was further confirmed by crystal structure analysis.
基金Funded by the National Natural Science Foundation of China(No.21503096)
文摘MoS_2-decorated C_3N_4(C_3N_4/MoS_2) nanosheets hybrid photocatalysts were prepared by a simple sonication-impregnation method. Face-to-face lamellar heterojunctions were well established between two dimension(2D) C_3N_4 and MoS_2 nanosheets. The effects of MoS_2 content on the light absorption, charge transfer and photocatalytic activity of the hybrid samples were investigated. Characterization results show that MoS_2 nanosheets are well anchored on the face of C_3N_4 nanosheets and the composites have well dispersed layered morphology. After loading with MoS_2, the light absorption of composites was much improved, especially in visible-light region. The photocatalytic activities of C_3N_4/MoS_2 samples were evaluated based on the H_2 evolution under visible light irradiation(λ > 400 nm). When the loading amount of MoS_2 was increased to 5 wt%, the highest H_2 evolution rate(274 μmol·g^(-1)·h^(-1)) was obtained. Compared with samples obtained from direct impregnation method, sonication pretreatment is favorable for the formation of 2D layered heterojuctions and thus improve the photocatalytic activity. Slightly deactivation of C_3N_4/MoS_2 composites could be observed when recycled due to the mild photocorrosion of MoS_2. Based on the band alignments of C_3N_4 and MoS_2, a possible photocatalytic mechanism was discussed, where MoS_2 could efficiently promote the separation of the photogenerated carriers of C_3N_4.
基金the Higher Education Commission Pakistan for funding the lab research under its International Research Support Initiative Program (IRSIP) programthe Department of Environmental Science, Quaid-i-Azam University, Islamabad (especially Environmental Hydro geochemistry Lab)the Environment & Sustainability Institute and Camborne School of Mines, University of Exeter, for technical support in conducting lab analysis
文摘The Paleocene coals of the Salt Range in the Punjab Province of Pakistan have great economic potential;however,their trace element and stable isotopic characteristics have not been studied in detail except for a few sporadic samples.In this study,a total of 59 coal samples of which 14 are obtained from open cast mines have been investigated for elemental composition andδ^(13)C-δ^(15)N isotopic signatures.Average contents of trace elements such as Co,Cr,Cu,Pb,Sr,Th,U,V,and Zn are 7.4,41.7,11.2,12.5,90.2,4.0,1.9,128,and 31.1 mg/kg,respectively.These values,when compared with the World Coal Clarke values,were relatively higher in low-rank coals in comparison with Clarke values for brown coals.Likewise,As(20.4 mg/kg),Co(6.6 mg/kg),Cr(22.4 mg/kg),Cu(^(13).3 mg/kg),Pb(19.2 mg/kg),Sr(^(15)4.7 mg/kg),Th(2.5 mg/kg),V(47.8 mg/kg),and Zn(75.1 mg/kg)were significantly higher in the sub-bituminous to bituminous coals of the Salt Range.Mineralogical analysis,based on X-ray diffraction and energy dispersive X-ray spectroscopy,revealed that the studied samples contain illite,kaolinite calcite,gypsum,pyrite,and quartz.Elemental affinity with organic and inorganic phases of coals calculated by an indirect statistical approach indicated a positive association of ash content with Ag,Al,Co,Cr,Cs,Cu,Mn,P,Rb,Pb,Th,U,and V,suggesting the presence of inorganic components in studied coals.However,As,Fe,Sr,and Zn exhibit negative correlations that imply their association with the organic fraction.Theδ^(13)C andδ^(15)N isotopic range and average−24.94‰to−25.86‰(−25.41‰)and−2.77‰to 3.22‰(0.96‰),respectively,reflecting 3C type modern terrestrial vegetation were common in the palaeomires of studied coal seams.In addition,the trivial variations of 0.92‰and 0.45‰among^(13)C and^(15)N values can be attributed to water level fluctuations and plant assemblies.
文摘Y_2(p-CH_3C_6H_4COO)_6(C_(12)H_8N_2)_2, Mr=1349.08, triclinic, space group P, a=13.00(3), b=19.743(2), c=12.754(3)A, α=97.94(1), β=106.24(2), γ=91.66(1)°, V=3177(1)~3, Z=2, Dc=1.41gcm^(-3), λ(MoKα)=0.71069, μ=18.92 cm^(-1), F(ooo)=1384, T=295K, final R=0.073 for 6504 observed reflections with Ⅰ>36(Ⅰ). There are two nonidentical binuclear molecules with different bridging connection patterns in a cell. One has four bridging carboxyl groups bound two Y(Ⅲ) ions and another only has two. The Y-Y distance is 4.196 for the former and 5.302 for the latter respectively.
文摘The circular chromatic number of a graph is a natural generalization of the chromatic number. Circular chromatic number contains more information about the structure of a graph than chromatic number does. In this paper we obtain the circular chromatic numbers of special graphs such as C t k and C t k-v, and give a simple proof of the circular chromatic number of H m,n .
基金financial support from the National Key R&D Program of China(No.2023YFA1507500)We also appreciate the general support provided by Prof.Armin Borner at Leibniz-Institute for€Catalysis.
文摘The development of catalytic carbonylation reactions has increased considerably.Although many reviews/chapters/books on carbonylation reactions have been published,summaries on cheap metal-catalyzed catalytic carbonylation reactions of aryl halides and other chemical bonds with high dissociation energy C–Y(Y¼O,N,H)are still very rare.Focusing on green and sustainable chemistry,this review summarizes and discusses the achievements on carbonylative transformations of aryl halides(C(sp2)–X)and strong bonds C–Y(Y¼O,N,H)based on non-expensive metal catalysts(Co,Mn,Mo,Ni,Fe,Cu),photochemical and electrochemical systems developed in recent decades.
文摘Regarding the research on alternatives for monopropellant hydrazine, several so called green propellants are currently under investigation or qualification. Aside others, the DLR Institute of Space Propulsion investigates a N20/C2I-I4 premixed green propellant. During the research activities, flashback from the rocket combustion chamber into the feeding system has been identified as a major challenge when using the propellant mixture. This paper shows the results of ignition experiments conducted in a cylindrical, optical accessible ignition chamber. During the ignition and flame propagation process, pressure, temperature and high-speed video data were collected. The high speed video data were used to analyze the flame propagation speed. The obtained propagation speed was about 20 rn/s at ignition, while during further propagation of the flame speeds of up to 120 m/s were measured. Additionally, two different porous materials as flame arresting elements were tested： Porous stainless steel and porous bronze material. For both materials Peclet numbers for flashback were derived. The critical Peclet number for the sintered bronze material was around 20, while for the sintered stainless steel the critical Peclet number seems to be larger than 40. Due to the test results, sintered porous materials seem to be suitable as flashback arresters.
基金supported by the funding from"863"Project(2011AA11A235)"973"Projects(2010CB833102 and 2012CB932900)+1 种基金NSFC(No.51222210 and 11234013)the 100 Talent Project of the Chinese Academy of Sciences
文摘Nano-sized caiboxylales Na2C7H3NO4 and Na2C6H2N2O4 were prepared and investigated as anode materials for lithium-ion batteries.Both carboxylates exhibit high reversible capacities around 190 mAh/g above a cut-off voltage of 0.8 V vs.Li＋/Li.potentially improving the safety of the batteries.In addition,good rate performance and long cycle life of these carboxylates make them promising candidates as anode materials for lithium-ion batteries.
基金financially supported by the Program for Liaoning Excellent Talents in Universities(LJQ2015062)the Fushun Science Project(FSKJHT201376)
文摘A bimodal mesoporous silica(BMMS) modified with amphiphilic compound(C_(19)H_(42)N)_3(PMo_(12)O_(40))(CTA-PMO) was prepared by the two-step impregnation method. Firstly, H3PMo12O40 was introduced into the bimodal mesoporous silica via impregnation, then C_(19)H_(42)NBr(CTAB) was grafted on the surface of BMMS containing H3PMo12O40 based on the chemical reaction between quaternary ammonium compound and the phosphomolybdic acid, and then the catalyst CTAPMO/BMMS was obtained. The samples were characterized by XRD, N_2 adsorption and desorption, FTIR, 31P-NMR, 29Si-NMR and TEM analyses. It is shown that the catalyst has a typical bimodal mesoporous structure, in which the small mesopore diameter is about 3.0 nm and the large mesopore diameter is about 5.0 nm. The chemical interaction happens between the Keggin structure and silica group of BMMS. Compared with the mono-modal porous Hβ and SBA-15 zeolites modified with CTA-PMO, CTA-PMO/BMMS showed better catalytic activity in the oxidative conversion of dibenzothiophene(DBT), and the desulfurization rate can reach about 94% with the help of extraction, and the catalyst can be separated by filtration and reused directly. The catalytic oxidative desulfurization mechanism on CTA-PMO/BMMS was proposed and verified.
文摘The novel copper?complex with salicylaldehyde benzoylhydrazone and pyridine ligands, Cu(C14H10N2O2)(C5H5N), has been synthesized and characterized by elemental analysis, IR and thermal analysis. The crystal structure of the title complex has been determined by single crystal X ray diffraction techniques. The crystal belongs to monoclinic with space group P21/c. The cell parameters are: a=1.6362(9)nm, b=1.7140(9)nm, c=1.2255(7)nm, β=105.168(9)°, V=3.317(3)nm3, Z=8, Dc=1.525g·cm-3, μ(MoKα)=1.334mm-1, F(000)=1560. The structure wasrefined to final R1=0.0376, wR2=0.0909. The copper?ion lies in a distorted square planar environment composed of two oxygen atoms, one nitrogen atom of tridentate acyhydrazone Schiff base ligand and one nitrogen atom of the pyridine ligand. CCDC: 193111.
