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Synthesis, Crystal Structure, Fluorescent Property and DFT Calculations of a New Zn(Ⅱ) Complex Based on 3-(2-Pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole 被引量:7
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作者 靳晓东 李冰 +2 位作者 高慧 张霞 刘万毅 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第7期1129-1136,共8页
A new coordination compound Zn(2,4'-bpt)2(H2O)(1) based on the versatile ligand 2,4'-Hbpt(2,4?-Hbpt = 3-(2-pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole) was prepared by hydrothermal reactions. The structure... A new coordination compound Zn(2,4'-bpt)2(H2O)(1) based on the versatile ligand 2,4'-Hbpt(2,4?-Hbpt = 3-(2-pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole) was prepared by hydrothermal reactions. The structure of complex 1 has been characterized by X-ray single-crystal diffraction, elemental analysis, X-ray powder diffraction, IR spectrum analysis and thermogravimetric analysis. Single-crystal X-ray diffraction analysis indicates that the complex belongs to monoclinic system, space group C2/c with a = 23.877(3), b = 0.7483(9), c = 1.2492(2) A, b = 92.681(2)°, V = 2230.6(4) A^3, Z = 4, Dc = 1.572 g/cm^3, m = 1.143 mm^-1, Mr = 527.85 and F(000) = 1080. The final R = 0.0581 and wR = 0.0898 with I 〉 2s(I). 1 is a 0D motif which is connected by hydrogen bonds to form a corrugated 1D pattern. In addition, 1 shows strong photoluminescent emissions in the solid state at room temperature which can be used as potential optical materials. Theoretical calculations based on density functional theory(DFT) were employed in order to explicate the stability and chemical reactivity of 2,4'-Hbpt with different conformations. The results indicated that conformation I is more stable and prior to coordination in the reactions. 展开更多
关键词 3-(2-pyridyl)-5-(4-pyridyl)-1H-1 2 4-triazole conformation crystal structure fluorescence theoretical analysis
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Synthesis,Structure and Fluorescent Property of a New Isolated Zn6Co9 Heteronuclear Cluster Constructed by Four Kinds of Ligands 被引量:3
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作者 张光辉 卢久富 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第11期1666-1672,共7页
A novel zero-dimensional heteronuclear cluster based on N-(phosphonomethyl)imi- no-diacetic acid (H4PMIDA) and Phen (1,10-phenanthroline), [Zn6Co9(PMIDA)6(Phen)6(NO3)4(H2O)6]·2NO3·16H2O, has be... A novel zero-dimensional heteronuclear cluster based on N-(phosphonomethyl)imi- no-diacetic acid (H4PMIDA) and Phen (1,10-phenanthroline), [Zn6Co9(PMIDA)6(Phen)6(NO3)4(H2O)6]·2NO3·16H2O, has been synthesized under hydrothermal conditions and characterized by elemental analysis, IR spectrum, thermal analysis, and single-crystal X-ray diffraction. The isolated 15- nuclearity cluster [Zn6Co9(PMIDA)6(Phen)6(NO3)4(H2O)6]^2+ was constructed by four kinds of ligands, and its charges are balanced by NO3^–. Each isolated cluster is further extended into a 3D supramolecular network through π???π interaction and C–H…O hydrogen bonds. Moreover, the solid-state fluorescent property of this complex has also been investigated at room temperature. 展开更多
关键词 isolated heteronuclear cluster mixed ligands crystal structure fluorescent property
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Synthesis,Crystal Structure and Fluorescent Properties of a Cadmium(Ⅱ) Complex with 3-(Pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole 被引量:3
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作者 王玉芳 孙小媛 耿俊磊 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第3期397-403,共7页
Compound [Cd_(1.5)(ppt)Br_2(H_2O)]_(2n)(1),where Hppt = 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole,has been synthesized under hydrothermal conditions and characterized by elemental analysis,IR s... Compound [Cd_(1.5)(ppt)Br_2(H_2O)]_(2n)(1),where Hppt = 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole,has been synthesized under hydrothermal conditions and characterized by elemental analysis,IR spectra,powder XRD,and X-ray diffraction.Compound 1 crystallizes in the triclinic system,space group P1 with a = 7.4402(6),b = 8.0570(7),c = 12.8674(11) A,α = 89.7300(10),β = 89.8570(10),γ = 68.3910(10)°,V = 717.13(10) A^3,Z = 1,Dc = 2.638 g/cm^3,μ = 7.824 mm^-1,F(000) = 534,the final R = 0.0324 and w R = 0.1084 for 2324 observed reflections with I 〉 2σ(I).X-ray diffraction analyses revealed that complex 1 is a 2D layered coordination polymer constructed from the linkage of [Cd_3(μ-Br)_4] trinuclear units with ppt-spacers,and a 3D supramolecular architecture is further assembled in 1 via hydrogen-bonding contacts.Fluorescence measurements show that 1 has medium fluorescent emission at 450 nm. 展开更多
关键词 trinuclear unit crystal structure fluorescent
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Synthesis, Crystal Structure and Fluorescent Property of a Zn(Ⅱ) Complex with 1,3-Bis(imidazol-1-yl)benzene and 1,3-Benzenedicarboxylate 被引量:2
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作者 张春丽 郑和根 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第7期1070-1076,共7页
A novel zinc complex [Zn(BIB)(bdc)]n(1, BIB = 1,3-bis(imidazol-1-yl)benzene, bdc = 1,3-benzenedicarboxylate) has been synthesized in solvothermal conditions. The title complex was characterized by elemental an... A novel zinc complex [Zn(BIB)(bdc)]n(1, BIB = 1,3-bis(imidazol-1-yl)benzene, bdc = 1,3-benzenedicarboxylate) has been synthesized in solvothermal conditions. The title complex was characterized by elemental analysis, IR spectra, thermal analysis, single-crystal and powder X-ray diffraction. The result proved that the alliance of BIB and aromatic carboxylic acids is good for the diversity of getatable structure. Complex 1 crystallizes in the monoclinic system of P2/c space group with a = 11.5591(10), b = 9.6239(8), c = 33.727(3)A, β = 103.816(3)°, V = 3643.4(5) A^3, Z = 8, μ = 1.385 mm^-1, F(000) = 1792, Dc = 1.603 g/cm^3 and Mr = 439.72 g/mol. Additionally, luminescent properties of complex 1 are also investigated and it shows good fluorescence. 展开更多
关键词 biimidazole zinc metal complex crystal structure fluorescent property
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Two New Silver Coordination Polymers Constructed from 3,3-Azodibenzoic Acid and Different Pyridine Derivatives:Syntheses,Structures and Fluorescent Properties 被引量:1
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作者 侯向阳 王潇 +5 位作者 任宜霞 唐龙 鞠萍 王记江 康玮玮 刘晓丽 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第3期445-452,共8页
Two coordination polymers(CPs),{[Ag(ADA)(0.5)(DPE)]·H2O}n(1) and {[Ag(ADA)(0.5)(Bipy)(0.5)]·H2O}n(2),(H2ADA = 3,3-azodibenzoic acid,DPE = 1,2-di(4-pyridyl)-ethylene,Bipy = 4,4?-bipyri... Two coordination polymers(CPs),{[Ag(ADA)(0.5)(DPE)]·H2O}n(1) and {[Ag(ADA)(0.5)(Bipy)(0.5)]·H2O}n(2),(H2ADA = 3,3-azodibenzoic acid,DPE = 1,2-di(4-pyridyl)-ethylene,Bipy = 4,4?-bipyridine),have been synthesized via solvothermal reactions of Ag+ with ADA^2- and/or DPE,Bipy.CPs 1 and 2 were characterized by elemental analyses,IR spectra,thermal behaviors,and X-ray single-crystal diffraction.CPs 1 and 2 feature "Ag···Ag" subunits.CP 1 shows a 3D construction,in which the "Ag···Ag" subunits extend through ADA^2- and DPE ligands using μ6-kO,O;kO;kO;kO,O;kO;kO and μ2-kO;kO coordination modes,respectively.It crystallizes in triclinic system,space group P1,with a = 0.3808(18),b = 1.2476(6),c = 1.309(6) nm,α = 76.757(5),β = 84.649(5),γ = 86.809(5)o,V = 0.6024(5) nm^3,Z = 2,Mr = 351.11,C(13)H(11)AgN2O3,Dc = 1.936 g/cm3,F(000) = 348,S = 1.064,R = 0.0323 and w R = 0.0689.CP 2 exhibits a 3 D supramolecular structure,in which the "Ag···Ag" subunits are connected by ADA^2- and DPE ligands with μ6-kO;kO;kO,O;kO;kO and μ2-kO;kO coordination modes,respectively.Ultimately,through hydrogen bond and π···π interaction,the "Ag···Ag" subunits stabilize the 3D supramolecular structure of 2.It crystallizes in monoclinic,space group C2/c,with a = 25.301(15),b = 13.197(8),c = 6.970(4) nm,β = 102.597(7)o,V = 2.271(2) nm^3,Z = 8,C(12)H(10)AgN2O(2.50),Mr = 330.09,Dc = 1.931 g/cm^3,F(000) = 1304,S = 1.082,R = 0.1107 and wR = 0.2984.The fluorescence properties of CPs 1 and 2 have been also investigated. 展开更多
关键词 silver CPs synthesis structure fluorescence properties
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Synthesis, Crystal Structure, Fluorescent Property and DFT Study of a Novel 1D Polymer [Zn(HMICD)(bpy)]_n·2nH_2O
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作者 郭瑞 刘广 +4 位作者 张杨 李朝阳 齐靖宇 刘宣文 苏娜 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第9期1420-1426,共7页
A new one-dimensional(1D) polymer, [Zn(HMIDC)(bpy)]n·2n H2O(1, H3MIDC = 2-methyl-imidazole-4,5-dicarboxylic acid, bpy = 2,2-bipyridine), has been solvothermally synthesized and characterized by single-cry... A new one-dimensional(1D) polymer, [Zn(HMIDC)(bpy)]n·2n H2O(1, H3MIDC = 2-methyl-imidazole-4,5-dicarboxylic acid, bpy = 2,2-bipyridine), has been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy, UV-vis spectrum and fluorescence measurements. Complex 1 crystallizes in orthorhombic system, space group Pbca with a = 14.404(3), b = 8.6900(17), c = 26.570(5) , V = 3325.8(11) -3, Dc = 1.700 g/cm-3, Mr = 425.70, Z = 8, F(000) = 1744, μ = 1.522 mm-(-1), the final R = 0.0421 and w R = 0.1018. The Zn(Ⅱ) ion is six-coordinated by O and N atoms from one HMIDC ligand, two O atoms from another HMIDC ligand and two N atoms from the bpy ligand. The HMIDC anion, which acts as a tetradentate ligand, chelates two Zn ions to form a one-dimensional(1D) zigzag chain structure. We analyzed the electronic structure and orbital energies of complex 1 by DFT methods, and the results are consistent with the UV-vis spectrum. And we also discussed the luminescent mechanism of complex 1 in detail. 展开更多
关键词 2-methyl-imidazole-4 5-dicarboxylic acid solvothermal synthesis 1D structure DFT fluorescence properties
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One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure, Fluorescence and Hirshfeld Surface Analysis 被引量:1
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作者 冯超 黄欢欢 +1 位作者 张舵 赵红 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第9期1376-1382,共7页
One new polymer [Co(L)(H2O)2]n(1) was synthesized by 4-(ethoxycarbonyl)-5-methyl-1H-1,2,3-triazole-1-carboxylic acid(Emtc) under the in situ solvent thermal reaction(H2L = 1-(carboxymethyl)-5-methyl-1H-1,... One new polymer [Co(L)(H2O)2]n(1) was synthesized by 4-(ethoxycarbonyl)-5-methyl-1H-1,2,3-triazole-1-carboxylic acid(Emtc) under the in situ solvent thermal reaction(H2L = 1-(carboxymethyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid). The title complex performs a wave-like 2D framework and the ligand H2L demonstrates the coordination mode as μ4-η-2:η-1η-1:η-1. The crystal structure has been established by single-crystal X-ray diffraction, and characterized by FT-IR. Fluorescent property was investigated in this work. Hirshfeld surface analysis has also been carried out on 1, and obvious main intermolecular interactions are observed. 展开更多
关键词 1H-1 2 3-triazole acid derivative crystal structure fluorescence Hirshfeld surface analysis
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Synthesis,Crystal Structure and Luminescence Study of a New Two-dimensional Mn(Ⅱ)Coordination Polymer 被引量:3
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作者 闫丽 刘伟 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第11期1770-1776,共7页
The coordination polymer [Mn2(cipt)2(aic)2]n (cipt = 2-(3-chlorophenyl)-1H- imidazo[4,5-f][1,10]phenanthroline, aic = 5-amino-isophthalic acid) has been obtained from hydrothermal reaction and characterized by... The coordination polymer [Mn2(cipt)2(aic)2]n (cipt = 2-(3-chlorophenyl)-1H- imidazo[4,5-f][1,10]phenanthroline, aic = 5-amino-isophthalic acid) has been obtained from hydrothermal reaction and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. The title compound crystallizes in the triclinic system, space group P , with a = 11.523(3), b = 12.162(3), c = 18.706(5) A^°, β = 81.789(5)°, V = 2455.2(1) A^°3, C54H32Cl2Mn2N10O8, Mr = 1129.68, Z = 2, Dc = 1.528 g/cm3, μ = 0.692 mm^-1, F(000) = 1148, R = 0.064 and wR = 0.145 for 9571 observed reflections (I 〉 2σ(I)). In this polymer, the Mn(II) atoms adopt different coordination modes. The Mn(1) atom is five-coordinated, forming a distorted tetragonal pyramidal geometry. Mn(2) atom is six-coordinated to get a distorted octahedral geometry, which is different from the Mn(1) atom. Each Mn(II) atom is linked by aic ligands with neighboring Mn(II) atoms, forming an infinite one-dimensional (1D) double-chain structure. The existence of N–H…O hydrogen bonding interactions leads the 1D chains to generate a 2D structure. Luminescent properties for the ligand cipt and compound 1 have also been discussed in detail. 展开更多
关键词 Mn(Ⅱ) compound crystal structure fluorescence 5-amino-isophthalic acid
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Synthetic Assembly of Inorganic-organic Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between 5,6-Substituted 1,10-Phenanthroline Derivative Ligands 被引量:2
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作者 王蕾 李文轩 +3 位作者 叶丹丹 顾晓敏 单月霞 倪良 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第11期1655-1665,共11页
A new strategy for the synthesis of polyoxometalate-based (POM-based) metal- organic materials was developed. The approach takes the advantage of the ability of phenanthroline derivative base to build strong noncova... A new strategy for the synthesis of polyoxometalate-based (POM-based) metal- organic materials was developed. The approach takes the advantage of the ability of phenanthroline derivative base to build strong noncovalent interactions. Three POM-based metal-organic com- pounds, [Mn(MOPIP)2(OH)2][Mn(MOPIP)2(OH)(SiW12O40)]·6H2O (1), [Cu2(MOPIP)2(OH)2(H2O)]2-(SiW12O40)·5H2O (2) and [Co(Mo2O7)(MOPIP)]n (3) (MOPIP = 2-(4-methoxyphenyl)-1H-imida- zo[4,5-f][1,10]phenanthroline), were synthesized under hydrothermal conditions. Single-crystal X-ray analysis reveals that compound 1 displays a mononuclear cluster. These clusters are intercon- nected by a framework of π…π stacking interactions to from a chain and layer structure. Compound 2 shows a multinuclear cluster with Keggin-type polyoxoanions [SiW12O40]^4- as building blocks. Strong hydrogen bonding interactions extend these multinuclear clusters into a two-dimensional layer. Compound 3 is a coordination polymer, in which [Mo2O7]^2- polyoxoanions connect the Co(II) ions running along the direction of one of the crystallographic axes to from a linear chain. Adjacent chains are further assembled into a two-dimensional network by strong hydrogen bonding interactions. The main structural traits in all of the compounds are that polyoxometalate acts as inorganic building blocks and connect metal ions to form cluster structure and coordination polymer. In addition, the photocatalytic activities and mechanism of compounds 1~3 on the degradation of Rhodamine B (RhB) under UV irradiation have been investigated in detail. 展开更多
关键词 polyoxometalates crystal structure fluorescence catalytic properties
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Coordination Assemblies of Cd^(Ⅱ)with 5-(Ethylthio)-1H-tetrazole and Halide Ions:Synthesis,Structure,and Luminescent Properties 被引量:1
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作者 陶野 李莜 +3 位作者 姚鹏飞 李海叶 黄富平 边贺东 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第4期640-646,共7页
Three cadmium(II)-halide complexes with 5-(ethylthio)-1H-tetrazole(Hett) as ligand, namely [Cd_7Cl_2(ett)_(12)(H_2O)_2]_n(1), [Cd_2(OH)Br(ett)_2]_n(2) and [Cd_2(OH)I(ett)_2]_n(3), have been h... Three cadmium(II)-halide complexes with 5-(ethylthio)-1H-tetrazole(Hett) as ligand, namely [Cd_7Cl_2(ett)_(12)(H_2O)_2]_n(1), [Cd_2(OH)Br(ett)_2]_n(2) and [Cd_2(OH)I(ett)_2]_n(3), have been hydrothermally synthesized and characterized. Complex 1 was synthesized at pH = 7 and exhibits a 3D supramolecular framework, where the adjacent Cd ions form a tetrahedron unit by ett ligands bridge and the tetrahedron units share vertices to connect each other by ett bridges to form a 2D layer architecture, which is further interlinked by μ_2-Cl to form 3D structures. Complexes 2 and 3 are isostructural, generated at pH = 8.0~9.0, displaying similar 2D networks via ett ligands and different halide ions(Br-in 2, I-in 3, respectively). In addition, thermal stabilities and luminescent properties of new complexes 1~3 have been studied. 展开更多
关键词 tetrazole Cd(Ⅱ) complex crystal structure fluorescence properties
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Syntheses,Crystal Structures and Fluorescence Properties of Two Mononuclear Copper(Ⅱ) Compounds 被引量:1
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作者 陈彦国 王启英 +2 位作者 唐强 洪鹏 胡传群 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第12期1885-1893,共9页
Two new compounds,1([Cu(IDB_)2]Cl_2·2CH_3CH_2OH·2H_2O(IDB = N,N-di(2-benzimidazolylmethyl)imine]) and 2([Cu(EDTB)]·2[C_6H_4(OH)COO]·6H_2O(EDTB = N,N,N',N'-tetrakis-[(2-benzimidazoly... Two new compounds,1([Cu(IDB_)2]Cl_2·2CH_3CH_2OH·2H_2O(IDB = N,N-di(2-benzimidazolylmethyl)imine]) and 2([Cu(EDTB)]·2[C_6H_4(OH)COO]·6H_2O(EDTB = N,N,N',N'-tetrakis-[(2-benzimidazolyl)methyl]-1,2-ethanediamine]),have been synthesized and their crystal structures were determined by single-crystal X-ray diffraction. Crystal 1 belongs to the triclinic system,space group P1 with a = 9.565(2),b = 9.863(2),c = 10.252(3) ?,α = 81.915,β = 88.330,γ = 87.347°,V = 956.28(40) ?3,Z = 1,F(000) = 427,D_c = 1.419 g/cm3,Mr = 817.27 and μ(MoKα) = 0.764 mm^(-1). The final R indices(I 〉 2σ(I)): R = 0.0505,wR = 0.1417; R indices(all data): R = 0.0591,wR = 0.1525. Crystal 2 is of triclinic system,space group P1 with a = 11.487(3),b = 13.396(4),c = 17.977(5) ?,α = 73.899(5),β = 86.629(5),γ = 65.018(4)°,V = 2403.8(12) ?3,Z = 2,F(000) = 1072,D3c = 1.417 g/cm,Mr = 1025.54,μ(MoKα) = 0.528 mm^(-1). The final R indices(I 〉 2σ(I)): R = 0.0769,w R = 0.163 2; R indices(all data): R = 0.0769,wR = 0.1632. The two compounds exhibit mononuclear structures. The copper(Ⅱ) atom of crystal 1 is six-coordinated by four nitrogen atoms of benzimidazole groups and two amine nitrogen atoms from the ligand IDB to adopt a distorted octahedral coordination geometry. The copper(Ⅱ) atom of crystal 2 is six-coordinated by four nitrogen atoms of benzimidazole groups and two amine nitrogen atoms from the ligand EDTB to show a distorted octahedral coordination geometry. Particularly,the two compounds exhibit fluorescent properties at room temperature in ethanol. 展开更多
关键词 mononuclear copper(Ⅱ) compound synthesis crystal structure fluorescence
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Structure, Growth and Characterization of Ammonium 5-Sulfosalicylic Acid Monohydrate Crystal 被引量:1
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作者 吕洋洋 叶李旺 +3 位作者 许智煌 曹有杰 苏根博 庄欣欣 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第3期453-460,共8页
Ammonium 5-sulfosalicylic acid monohydrate (NH4·C7H5O6S·H2O, ASSA) was synthesized and optical grade crystal with dimensions of 45ram × 20mm × 18mm was obtained from aqueous solution by the cooli... Ammonium 5-sulfosalicylic acid monohydrate (NH4·C7H5O6S·H2O, ASSA) was synthesized and optical grade crystal with dimensions of 45ram × 20mm × 18mm was obtained from aqueous solution by the cooling solution method. The crystal structure was confirmed by X-ray single-crystal diffraction method and the empirical composition is C7HIINO7S with formula weight 253.23. The crystal belongs to monoclinic space group P21/c with a = 1 1.884(9), b = 7.306(5), c = 12.152(9) A, β = 104.851(13)°, V= 1019.8(13) A3, Z = 4, Dc = 1.649 g/cm3,μ = 0.340 mm-1, F(000) =528, the final R= 0.0307 and wR= 0.0866 for 7494 observed reflections (I〉 2σ(I)), Elemental analysis, 1R and 1H-NMR spectrum were used to characterize the compound. Thermal analysis showed that one coordination water molecule was contained and dehydration temperature of ASSA crystal was 106℃. Optical transmission and fluorescence spectrum revealed that the ASSA crystal exhibited a strong absorption in ultraviolet region with the sharp absorption edge located at 340 nm and a significant blue fluorescent emission band at 442 nm. 展开更多
关键词 ammonium 5-sulfosalicylic acid monohydrate crystal growth crystal structure fluorescence spectrum
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Fluorescence Properties and Crystal Structures of Metal-organic Coordination Complexes Based on the 2,6-Naphthalenedicarboxylic Acid 被引量:1
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作者 胡兵相 周磊 +1 位作者 周泽宇 汪芳明 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第6期971-976,共6页
Two metal-organic coordination complexes, [Zn(2,6-ndc)(1,2-bix)]n(1) and [Zn(2,6-ndc)(1,3-bix)]n(2)(2,6-H2ndc = 2,6-naphthalenedicarboxylic acid, 1,2-bix = 1,2-bis(imidazole-1-ylmethyl)-benzene and 1,3-... Two metal-organic coordination complexes, [Zn(2,6-ndc)(1,2-bix)]n(1) and [Zn(2,6-ndc)(1,3-bix)]n(2)(2,6-H2ndc = 2,6-naphthalenedicarboxylic acid, 1,2-bix = 1,2-bis(imidazole-1-ylmethyl)-benzene and 1,3-bix = 1,3-bis(imidazole-1-ylmethyl)-benzene) have been synthesized by the hydrothermal method. Though the two complexes both crystallize in a triclinic system, space group P1 and show similar two-dimensional structures, weak intermolecular interactions(π-π packing interactions) only exist in complex 2. They are characterized by single-crystal X-ray diffraction analysis, fluorescence measurement, IR spectroscopy and TGA. Moreover, the solid-state fluorescence spectra of two complexes show maximal emission peaks at 365(λ(ex) = 329 nm) and 367 nm(λex = 344 nm), respectively. 展开更多
关键词 fluorescence properties hydrothermal condition crystal structure
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Synthesis, Crystal Structure and Two-photon Absorption Properties of 4′-(N,N-di(4-hydroxymethyl phenyl) amino)phenyl-2,2′:6′,2''-terpyridine 被引量:1
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作者 刘杰 王慧 +3 位作者 李丹丹 周虹屏 田玉鹏 吴杰颖 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第3期365-372,共8页
A novel donor-acceptor (D-A) triphenylamino terpyridine derivative L was facilely synthesized and fully characterized, and its single crystals were obtained and determined by X-ray diffraction analysis. It crystalli... A novel donor-acceptor (D-A) triphenylamino terpyridine derivative L was facilely synthesized and fully characterized, and its single crystals were obtained and determined by X-ray diffraction analysis. It crystallizes in triclinic, space group P/ with a = 11.760(5), b =12.516(5), c = 12.850(5) A, α = 67.141(5), β= 65.284(5), γ = 75.876(5)°, Mr = 621.54, F= 1575.6(11) A3, Z= 2, Dc = 1.310 g/cm3,μ = 0.245 mm-1, F(000) = 648, the final R = 0.0671 and wR = 0.1869 for 11328 observed reflections with 1〉 2σ(I). Linear and nonlinear optical properties of terpyridine derivative L were systematically investigated. The maximum two-photon cross-section of L was 382.5 GM (Goeppert-Mayer), measured by two-photon excited fluorescence (TPEF) method. This result demonstrates that the increase of intramolecular charge transfer (ICT) leads to enhanced two-photon absorption (2PA), which could be achieved by introducing additional electron-donor groups to the molecular framework. 展开更多
关键词 terpyridine derivatives crystal structure photophysical properties two-photonexcited fluorescence
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Effect of Anionic Ancillary Ligands on Terpyridine Based Coordination Polymers:Synthesis,Crystal Structure and Fluorescence Property
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作者 张四方 李军 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第5期811-817,共7页
By using different anionic ancillary ligands, two new coordination polymers, [Cd(L)I_2]_n(1) and {[Cd(L)_2(1,4-bdc)]·H_2O}_n(2)(L = 2,4,6-tris(4-pyridyl)pyridine, 1,4-H_2bdc = benzene-1,4-dicarboxyli... By using different anionic ancillary ligands, two new coordination polymers, [Cd(L)I_2]_n(1) and {[Cd(L)_2(1,4-bdc)]·H_2O}_n(2)(L = 2,4,6-tris(4-pyridyl)pyridine, 1,4-H_2bdc = benzene-1,4-dicarboxylic acid), have been synthesized under hydrothermal conditions. Compound 1 crystallizes in monoclinic, space group C2/c with a = 11.625(2), b = 13.871(3), c = 13.676(3) A, β = 108.11(3)°, V = 2096.0(7)A3, D_c = 2.144 g/cm^3, C_(20)H_(14)I_2N_4Cd, M_r = 676.55, F(000) = 1264, μ(MoKα) = 3.999 mm^(-1), Z = 4, Rint = 0.0308,(Δρ)_(max) = 0.354,(Δρ)_(min) = 0.289, R = 0.0332 and wR = 0.0721 for 2401 observed reflections(I 〉 2σ(I)). However, compound 2 crystallizes in triclinic, space group P1 with a = 10.315(2), b = 14.060(3), c = 15.090(3) A, β = 98.40(3)o, V = 1990.0(9) ?~3, D_c = 1.527 g/cm^3, C_(48)H_(34)N_8O_5Cd, M_r = 915.23, F(000) = 932, μ(MoKα)= 0.610 mm^(-1), Z = 2, Rint = 0.0776,(Δρ)_(max) = 0.869,(Δρ)_(min) = 0.843, R = 0.0815 and wR = 0.1930 for 6999 observed reflections(I 〉 2σ(I)). Compound 1 is a 1D chain structure, which adopts inorganic anion I- as the counterion, and 2 exists a 2D(4,4) network constructed by benzene-1,4-dicarboxylic acid. 展开更多
关键词 ancillary ligand crystal structure fluorescence
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Crystal Structure and ESIPT Phenomena of Anionic 2H-Phenanthro[9,10-c]pyrazol-11-ols
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作者 李晨晨 贺云 +2 位作者 魏涛 王涛 张尊听 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第1期83-90,共8页
Using 4'-methoxy-5-hydroxyisoflavone and 4',5-dihydroxy-7-methoxyisoflavone as leding compounds,6-methoxy-2 H-phenanthro[9,10-c]pyrazol-11-ol(1 a) and 9-methoxy-2 Hphenanthro [9,10-c]pyrazol-6,11-diol(1 b) were ... Using 4'-methoxy-5-hydroxyisoflavone and 4',5-dihydroxy-7-methoxyisoflavone as leding compounds,6-methoxy-2 H-phenanthro[9,10-c]pyrazol-11-ol(1 a) and 9-methoxy-2 Hphenanthro [9,10-c]pyrazol-6,11-diol(1 b) were synthesized by two dehydration processes in the EtOH solution.They were characterized by IR,^1H NMR and ^13C NMR.The black prism crystal of 1 a was grown by the slow solvent evaporation technique from 40:1(v/v) CHCl3/MeOH,and it was determined by single-crystal X-ray diffraction.In the crystal structure,1 a was stabilized by intramolecular(O–H···N) and intermolecular(N–H···O,O–H···O,π···π,C–H···π) interactions.In addition,the fluorescence properties of 1 a and 1 b in the base and neutral media revealed that they possessed excited state intramolecular proton transfer phenomena(ESIPT). 展开更多
关键词 isoflavone photocyclization crystal structure fluorescence ESIPT
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Two Coordination Polymers Constructed by Cd(Ⅱ) and Zn(Ⅱ) with in situ Generated 5-(3-Pyridyl)tetrazolate Ligand:Syntheses,Crystal Structures and Luminescence Properties
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作者 卢文贯 王小兵 +1 位作者 刘宏文 洪显兰 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第3期383-391,共9页
Hydrothermal reactions of 3-cyanopyridine and Na N3 with Zn Cl_2 or Cd Cl_2·5/2H_2 O in the presence of 1,4-benzenedicarboxylic acid(H2bdc) yielded two new coordination polymers,{[Zn(3-ptz)(bdc)_(0.5)(H... Hydrothermal reactions of 3-cyanopyridine and Na N3 with Zn Cl_2 or Cd Cl_2·5/2H_2 O in the presence of 1,4-benzenedicarboxylic acid(H2bdc) yielded two new coordination polymers,{[Zn(3-ptz)(bdc)_(0.5)(H_2O)_2]n·2H_2O}_n(1) and [Cd_2(3-ptz)_2Cl_2]_n(2),based on in situ synthesized 5-(3-pyridyl)tetrazolate(3-ptz-) organic ligand.They have been structurally characterized by elemental analysis(EA),infrared spectroscopy(IR) and single-crystal/powder X-ray diffraction(PXRD).In 1,two Zn(Ⅱ) ions are linked together through two μ_2-(3-ptz-) ligands to form a dimeric unit of [Zn(μ_2-3-ptz)(H_2O)_2]2^2+,which is further connected with other equivalent units by μ_2-bdc^2-spacers,resulting in an infinite 1D polymeric chain of [Zn_2(3-ptz)_2(H_2O)_2(bdc)]_n,and then strong hydrogen bonding interactions extend these 1D chains into a 3D supramolecular structure.In 2,the Cd(Ⅱ) ions are connected through μ_4-(3-ptz-) ligands and Cl-anions,leading to infinite 2D layers of [Cd_2(3-ptz)Cl_2]_n^n+,which are further linked by another μ_4-(3-ptz-) pillared ligand to form a 3D layered-pillared framework architecture of [Cd)2(3-ptz))2Cl)2])n.Furthermore,thermal stability of these compounds was measured by thermogravimetric analysis(TGA) and their photoluminescent properties were also investigated in the solid state at room temperature. 展开更多
关键词 coordination polymers 5-(3-pyridyl)tetrazole crystal structure fluorescence
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Synthesis, Crystal Structure and Luminescence of a Trinuclear Magnesium Coordination Polymer Based on a Triangle Flexible Carboxylic Ligand
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作者 WANG Rong-Ming ZHANG Ming-Hui +3 位作者 LIU Xiao-Qing LIU Xiao-Bin WANG Wen SUN Dao-Feng 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第8期1288-1294,共7页
A novel two-dimensional metal organic coordination compound based on flexible 1,3,5-tri(4-carboxyphenoxy)benzene (HaTCPB), {[Mgl.5(TCPB)(DMF)(H20)]'(DMF)}n (1), has been prepared and structurally charac... A novel two-dimensional metal organic coordination compound based on flexible 1,3,5-tri(4-carboxyphenoxy)benzene (HaTCPB), {[Mgl.5(TCPB)(DMF)(H20)]'(DMF)}n (1), has been prepared and structurally characterized by single-crystal X-ray diffraction, TGA, and PXRD measurements. Complex 1 crystalizes in triclinic, space group Pi with a = 10.2521(6), b = 11.0974(7), c = 16.1113(9) A, C33H31Mg1.5N2012, Mr = 684.06, V= 1669.46(17) A3, Z = 2, Dc = 1.361 g·cm^-3, p = 0.129 mm^-1, F(000) = 714, 3.06≤0≤25°, λ(MoKa) = 0.71073 A, T= 273(2) K, the final R = 0.0386, wR = 0.0892 and S = 1.031. X-ray diffraction analysis reveals that complex 1 possesses a two-dimensional framework constructed by trinuclear Mg SBUs and three-connected TCPB3- linker. In addition, the solid state luminescent property of complex 1 was also investigated at room temperature. 展开更多
关键词 crystal structure two-dimensional framework fluorescence magnesium
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Synthesis, Crystal Structure, Two-photon Absorption and Biological Imaging Application of a Water Soluble Carbazole Quaternary Ammonium Compound
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作者 王聪 孙婉 +3 位作者 王安然 李胜利 吴杰颖 田玉鹏 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第4期589-598,共10页
A novel carbazole quaternary ammonium compound(abbreviated as T_2) had been synthesized and characterized by ~1H NMR, ^(13)C NMR and Mass spectrometry. The single-crystal structure has been determined by X-ray sin... A novel carbazole quaternary ammonium compound(abbreviated as T_2) had been synthesized and characterized by ~1H NMR, ^(13)C NMR and Mass spectrometry. The single-crystal structure has been determined by X-ray single-crystal diffraction. The electrochemical and two-photon absorption properties of T_2 were systematically studied by cyclic voltammetry and Z-scan determination methods, respectively. The results suggested that T_2 had a good oxidation-reduction and excellent nonlinear optical property. The two-photon absorption(TPA) value has a maximum corresponding to cross section σ = 7963.3 GM(Goeppert-Mayer units) at 700 nm, indicating potential applications in nonlinear optical materials. Furthermore, attributing to the excellent water solubility and low cytotoxicity, the compound was explored on its primary application in biological imaging. 展开更多
关键词 carbazole quaternary ammonium crystal structure two-photon absorption one-photon fluorescence biological imaging
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Two Metal-organic Coordination Polymers with Rigid Bis(triazole) Ligand: Assembly, Structures, and Fluorescence Properties
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作者 张旭 赵艳琴 +1 位作者 王福生 董桂英 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第5期765-773,共9页
Two new coordination polymers containing rigid bis(triazole), namely, [Ni(btb)_(0.5)(nph)(H_2O)]_n(1) and [Zn(btb)(SO_4)]_n(2)(btb = 4,4a-bis(1,2,4-triazolyl-1-yl)-biphenyl, H_2nph = 3-nitrophthal... Two new coordination polymers containing rigid bis(triazole), namely, [Ni(btb)_(0.5)(nph)(H_2O)]_n(1) and [Zn(btb)(SO_4)]_n(2)(btb = 4,4a-bis(1,2,4-triazolyl-1-yl)-biphenyl, H_2nph = 3-nitrophthalic acid) have been synthesized and characterized by elemental analysis, IR spectra, and single-crystal X-ray diffraction. Complex 1 shows a 3D trinodal(3,4,4)-connected sqc69 topology. Complex 2 presents a 2D uninodal 4-connected sql network, which is further packed into a 3D supramolecular framework by C-H···O hydrogen bonds. Thermal stabilities and fluorescence properties of two complexes have been discussed in detail. 展开更多
关键词 bis(triazole) ligand crystal structure nickel(Ⅱ) coordination polymer fluorescence zinc(Ⅱ) coordination polymer
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