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Hydrothermal Synthesis,Crystal Structure and Thermal Stability of a Binuclear Copper(Ⅱ) Complex with 3-(Pyridin-2-yl)-1,2,4-triazole 被引量:7
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作者 李昶红 谭雄文 +1 位作者 李薇 杨颖群 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第2期289-292,共4页
One novel binuclear copper(Ⅱ) complex [Cu 2 (Hpt) 2 (CO 3) 2 (H 2 O) 2 ]·H 2 O with copper carbonate and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) was hydrothermally synthesized and characterized by IR a... One novel binuclear copper(Ⅱ) complex [Cu 2 (Hpt) 2 (CO 3) 2 (H 2 O) 2 ]·H 2 O with copper carbonate and 3-(pyridin-2-yl)-1,2,4-triazole (Hpt) was hydrothermally synthesized and characterized by IR and X-ray diffraction analysis.The complex crystallizes in triclinic,space group P2 1 /n with a=0.6862(1),b=0.7805(1),c=1.1983(2) nm,α=72.03(2),β=107.72(3),γ=75.28(2)o,V=0.5884 nm 3,D c=2.105 g/cm 3,Z=1,F(000)=357,GOOF=1.041,the final R=0.01859 and wR=0.04348.The whole molecule is composed of two cooper ions,two Hpt molecules,two carbonate and three water molecules,forming a binuclear structure.The crystal structure shows that the cooper ion is coordinated with three nitrogen atoms from two Hpt molecules,two oxygen atoms from one carbonic acid and one water molecule,forming a distorted square pyramidal geometry.The TG analysis result shows that the title complex is stable under 131.0 ℃. 展开更多
关键词 copper(Ⅱ) complex hydrothermal synthesis crystal structure thermal stability analysis
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Synthesis,Crystal Structure and Thermal Stability of a One-dimensional Chain Cobalt Coordination Polymer [Co(4,4'-bipy)(2,4,6-TMBA)_2(CH_3CH_2OH)_2]_n 被引量:4
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作者 LI Wei LI Chang-Hong +4 位作者 YANG Ying-Qun CHEN Zhi-Min KUANG Dai-Zhi ZHANG Chun-Hua KANG Yun-Fei 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第7期878-882,共5页
A one-dimensional chain cobalt(Ⅱ) coordination polymer with 2,4,6-trimethyl- benzoic acid, 4,4′-bipyridine and cobalt perchlorate anhydrous has been synthesized and characterized in the mixture solvent of water an... A one-dimensional chain cobalt(Ⅱ) coordination polymer with 2,4,6-trimethyl- benzoic acid, 4,4′-bipyridine and cobalt perchlorate anhydrous has been synthesized and characterized in the mixture solvent of water and alcohol. Crystal data for this complex: monoclinic, space group C2/c, a = 2.3805(8), b = 1.1464(4), c = 1.5807(5) nm, y = 128.435(4)°, V= 3.3791(18) nm^3, Dc = 1.246 g/cm^3, Z = 4, F(000) = 1340, final GooF = 1.009, R = 0.0504 and wR = 0.1287. Structural analysis shows that the cobalt ion is coordinated with two nitrogen atoms of one 4,4′- bipyridine molecule and four oxygen atoms from two 2,4,6-trimethylbenzoic acid molecules and two alcohol molecules, giving a distorted octahedral coordination geometry. The result of TG analysis indicates that the title complex is stable till 200 ℃. 展开更多
关键词 cobalt(Ⅱ) complex crystal structure thermal stability analysis
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Synthesis, Crystal Structure and Thermal Stability of a Nickel(Ⅱ) Complex with Bicycle[2.2.1]-2-hepten-5,6-dicarboxylic Acid 被引量:5
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作者 李薇 李玉林 +1 位作者 李昶红 谭雄文 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第9期1279-1282,共4页
The nickel complex {Ni(2,2-bipy)(H2O)3[C8H11O2(COO)]}(H2O)3 with bicycle-[2.2.1]-2-hepten-5,6-dicarboxylic acid [C7H8(COOH)2] and 2,2'-bipyridine (bipy) as ligands has been synthesized and characterized. ... The nickel complex {Ni(2,2-bipy)(H2O)3[C8H11O2(COO)]}(H2O)3 with bicycle-[2.2.1]-2-hepten-5,6-dicarboxylic acid [C7H8(COOH)2] and 2,2'-bipyridine (bipy) as ligands has been synthesized and characterized. It crystallizes in monoclinic, space group P , with a = 0.74975(3), b = 1.20309(4), c = 1.30593(4) nm, α = 109.861(2), β = 98.519(2), γ = 90.575(2)o, V = 1.09337(7) nm3, Dc = 1.552 g/cm3, Z = 2, F(000) = 524, the final GOOF = 1.064, R = 0.0397 and wR = 0.1171. The crystal structure shows that the nickel ion is coordinated with four oxygen atoms from one bicycle[2.2.1]-2-hepten-5,6-dicarboxylic acid molecule and three water molecules and two nitrogen atoms from the 2,2′-bipyridine molecule, forming a distorted octahedral coordination geometry. The result of TG analysis shows that the title complex is stable under 200.0 ℃. 展开更多
关键词 nickel(Ⅱ) complex crystal structure thermal stability analysis
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Structure and Thermal Stability of a One-dimensional Chain Cobalt Coordination Polymer [Co(phen)(2,4,6-TMBA)_2(H_2O)]_n 被引量:3
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作者 YANG Ying-Qun LI Chang-Hong +3 位作者 LI Wei ZHANG Chun-Hua GUO Dong-Cai KANG Yun-Fei 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第6期752-756,共5页
A one-dimensional chain cobalt(Ⅱ) coordination polymer with 2,4,6-trimethylbenzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous has been synthesized in the solvent mixture of water/methanol and charac... A one-dimensional chain cobalt(Ⅱ) coordination polymer with 2,4,6-trimethylbenzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous has been synthesized in the solvent mixture of water/methanol and characterized. Crystal data for this complex: tetragonal, space group I41, a = 2.0356(2), c = 1.3779(3) nm, V= 5.7096(15) nm^3, Mr= 581.51,μ(MoKa) = 0.644, Dc = 1.353 g/cm^3, Z = 8, F(000) = 2424, final S = 1.005, R = 0.0404 and wR = 0.0865. The crystal structure shows that the cobalt ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline molecule, three oxygen atoms from three 2,4,6-trimethylbenzoic acid molecules and one water molecule, giving a distorted octahedral coordination geometry. The result of TG analysis indicates that the title complex is stable till 200 ℃. 展开更多
关键词 cobalt(Ⅱ) complex crystal structure thermal stability analysis
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Synthesis,Crystal Structure and Thermal Stability Properties of a Binuclear Copper(Ⅱ) Coordination Polymer {[Cu_2(4,4'-bipy)_2(o-ABA)_4(H_2O)_2][(H_2O)_2]}_n 被引量:3
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作者 刘停 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第2期195-198,共4页
One-dimensional chain copper(Ⅱ) coordination polymer has been synthesized and characterized in the solvent mixture of water and alcohol with o-acetamidobenzoic acid,4,4'-bipyridine and copper perchlorate.It is of ... One-dimensional chain copper(Ⅱ) coordination polymer has been synthesized and characterized in the solvent mixture of water and alcohol with o-acetamidobenzoic acid,4,4'-bipyridine and copper perchlorate.It is of tetragonal,space group P41212 with a=1.57756(10),b= 1.57756(10),c=2.1438(3)nm,V=5.3352(8) nm^3,Dc=1.524 g/cm^3,Z=4,F(000)=2536,R= 0.0479 and wR=0.0979.The crystal structure shows two coordination modes.The copper(1) is coordinated with two nitrogen atoms of one 4,4'-bipyridine molecule and two oxygen atoms from two o-acetamidobenzoic acid molecules,forming a distorted tetrahedral coordination geometry; the copper(2) is coordinated with two nitrogen atoms of one 4,4'-bipyridine molecule,four oxygen atoms from two o-acetamidobenzoic acid molecules and two water molecules,generating a distorted octahedral coordination geometry.The result of TG analysis shows that the title complex is stable below 180.0 ℃. 展开更多
关键词 copper(Ⅱ) coordination polymer crystal structure thermal stability analysis
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Hydrothermal Synthesis,Crystal Structure and Thermal Stability of a Supramolecular Lead(II) Complex with 4-Nitrobenzoic Acid and 1,10-Phenanthroline 被引量:1
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作者 徐相君 吴向阳 +2 位作者 徐婉珍 周威 闫永胜 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第5期639-644,共6页
A new complex [Pb(phen)2(4-NBA)]2·2(NO3)·H2O(phen = 1,10-phenanthroline,4-NBA = 4-nitrobenzoate) has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction,el... A new complex [Pb(phen)2(4-NBA)]2·2(NO3)·H2O(phen = 1,10-phenanthroline,4-NBA = 4-nitrobenzoate) has been hydrothermally synthesized and structurally determined by single-crystal X-ray diffraction,elemental analyses and IR spectroscopy.The complex crystallizes in monoclinic,space group P21/c with a = 13.416(3),b = 14.065(3),c = 16.845(3)(A°) ,β = 110.55(3)o,V = 2976.5(10)(A°)^3,Z = 2,Dc = 1.796 g/cm^3,F(000) = 1564,GOOF = 0.962,the final R = 0.0686 and wR = 0.1746.The crystal structure shows that the lead ion is coordinated with two carboxylate O atoms from the 4-NBA anion,and four N atoms from two phen molecules,forming a slightly distorted pentagonalbipyramidal coordination geometry.It is further extended by various supramo-lecular interactions to form a three-dimensional supramolecular network.The TG analysis result shows that this complex begins decomposing at 30 ℃ and decompounding completely at 733 ℃. 展开更多
关键词 crystal structure π…π supramolecular complex thermal stability analysis
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Synthesis,Crystal Structure and Thermal Stability of Complex [Cu(C_(14)H_(10)O_4)(C_(12)H_8N_2)_2]·2H_2O 被引量:1
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作者 张少华 李昶红 +2 位作者 李薇 谭雄文 周水奇 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第10期1493-1496,共4页
The title complex has been synthesized with 2,2'-biphenyl dicarboxylic acid and 1,10-phenanthroline(phen)in the solvent mixture of water and methanol.It crystallizes(C38H28CuN4O6,Mr = 700.1)in triclinic,space gro... The title complex has been synthesized with 2,2'-biphenyl dicarboxylic acid and 1,10-phenanthroline(phen)in the solvent mixture of water and methanol.It crystallizes(C38H28CuN4O6,Mr = 700.1)in triclinic,space group P1 with a = 1.0868(2),b = 1.2175(2),c = 1.6206(3)nm,α = 110.161(2),β = 102.605(3),γ = 93.667(2)o,V = 1941.6(6)nm3,Dc = 1.198 g/cm3,Z = 2,F(000)= 722,R = 0.0558 and wR = 0.1208.The crystal structure shows that the copper atom is coordinated with one oxygen atom from 2,2'-bphenyl dicarboxylic acid molecule and four nitrogen atoms from two 1,10-phenanthroline molecules,forming a distorted square-pyramidal coordination.The TG analysis shows that the title complex is stable under 160.0 ℃. 展开更多
关键词 copper(II)complex SYNTHESIS thermal stability analysis
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Synthesis,Structure and Thermal Stability of a Cadmium Coordination Polymer:[Cd(phen)(4,6-dimethyl-5-nitro-isophthalic Acid)]_n
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作者 许玉敏 赵小亮 胡拖平 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2011年第10期1442-1446,共5页
One cadmium(Ⅱ)coordination polymer [Cd(phen)(4,6-dimethyl-5-nitro-isophtha-lic acid)]n(1)has been synthesized with 4,6-dimethyl-5-nitro-isophthalic acid,phen(phen = 10-phenanthroline),and cadmium nitrate in... One cadmium(Ⅱ)coordination polymer [Cd(phen)(4,6-dimethyl-5-nitro-isophtha-lic acid)]n(1)has been synthesized with 4,6-dimethyl-5-nitro-isophthalic acid,phen(phen = 10-phenanthroline),and cadmium nitrate in the mixture of DMSO:H2O(V:V = 2:1).Crystallogra-phic data for this complex:monoclinic,space group P21/c,with a = 11.668(2),b = 11.841(6),c = 14.446(2),β = 102.440(4)°,V = 1.9491(8)3,Dc = 1.805 g/cm3,Z = 1,F(000)= 1056,GOOF = 0.999,R = 0.0280 and wR = 0.0662.The crystal structure analysis indicates that the cadmium ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline molecule and five oxygen atoms from three 4,6-dimethyl-5-nitro-isophthalic acid molecules.The curve of TGA shows that 1 is stable up to 380.0 ℃. 展开更多
关键词 coordination polymer crystal structure thermal stability analysis
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A Novel Three-dimensional(4,4)-Connected Coordination Polymer Based on Benzotriazole and Thiophene-2,5-dicarboxylic Acid: Synthesis, Crystal Structure,and Luminescence Properties 被引量:3
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作者 姜大雨 隋微 +1 位作者 刘博 王庆伟 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第9期1445-1450,共6页
A novel coordination polymer [Zn2(BTA)2(TDC)]n(HBTA = benzotriazole, H2TDC = thiophene-2,5-dicarboxylic acid) has been synthesized by the reaction of zinc(Ⅱ), H2TDC and HBTA. This compound is fully structural... A novel coordination polymer [Zn2(BTA)2(TDC)]n(HBTA = benzotriazole, H2TDC = thiophene-2,5-dicarboxylic acid) has been synthesized by the reaction of zinc(Ⅱ), H2TDC and HBTA. This compound is fully structurally characterized by elemental analysis, IR, and single-crystal X-ray crystallography. The bulk new materials were further identified by X-ray powder diffraction. Compound 1 crystallizes in the orthorhombic system, space group Pbcn, with a = 9.8825(8), b = 9.4047(8), c = 20.5567(17) , V = 1910.6(3) -3, C(18)H(10)N6O4SZn2, Mr = 537.12, Dc = 1.867 g/cm-3, μ(MoK α) = 2.662 mm-(-1), F(000) = 1072, Z = 4, S = 1.058, the final R = 0.0201 and w R = 0.0530 for 1700 observed reflections(I 2σ(I)). Its compositional stability and photoluminescence properties were further investigated to establish the structure-property relationships. Structural analysis reveals that this compound is a 3D(4, 4)-connected framework with the(6-6)(6-4·8-2) topology. 展开更多
关键词 coordination polymer crystal structure thermal stability analysis fluorescence
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Potassium carbonate-based ternary transition temperature mixture(deep eutectic analogues)for CO_(2)absorption:Characterizations and DFT analysis 被引量:2
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作者 Hosein Ghaedi Payam Kalhor +3 位作者 Ming Zhao Peter T.Clough Edward J.Anthony Paul S.Fennell 《Frontiers of Environmental Science & Engineering》 SCIE EI CSCD 2022年第7期113-124,共12页
Is it possible to improve CO_(2)solubility in potassium carbonate(K_(2)CO_(3))-based transition temperature mixtures(TTMs)?To assess this possibility,a ternary transition-temperature mixture(TTTM)was prepared by using... Is it possible to improve CO_(2)solubility in potassium carbonate(K_(2)CO_(3))-based transition temperature mixtures(TTMs)?To assess this possibility,a ternary transition-temperature mixture(TTTM)was prepared by using a hindered amine,2-amino-2-methyl-1,3-propanediol(AMPD).Fourier transform infrared spectroscopy(FT-IR)was employed to detect the functional groups including hydroxyl,amine,carbonate ion,and aliphatic functional groups in the prepared solvents.From thermogravimetric analysis(TGA),it was found that the addition of AMPD to the binary mixture can increase the thermal stability of TTTM.The viscosity findings showed that TTTM has a higher viscosity than TTM while their difference was decreased by increasing temperature.In addition,Eyring’s absolute rate theory was used to compute the activation parameters(∆G^(*),∆H^(*),and ∆S^(*)).The CO_(2)solubility in liquids was measured at a temperature of 303.15 K and pressures up to 1.8 MPa.The results disclosed that the CO_(2)solubility of TTTM was improved by the addition of AMPD.At the pressure of about 1.8 MPa,the CO_(2)mole fractions of TTM and TTTM were 0.1697 and 0.2022,respectively.To confirm the experimental data,density functional theory(DFT)was employed.From the DFT analysis,it was found that the TTTM+CO_(2)system has higher interaction energy(|∆E|)than the TTM+CO_(2)system indicating the higher CO_(2)affinity of the former system.This study might help scientists to better understand and to improve CO_(2)solubility in these types of solvents by choosing a suitable amine as HBD and finding the best combination of HBA and HBD. 展开更多
关键词 Ternary transition-temperature mixture FT-IR and thermal stability analysis Viscosity and correlation study Eyring’s absolute rate theory CO_(2)solubility Density functional theory(DFT)
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