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Synthesis,Crystal Structure,Fluorescence Properties and Geometrical Calculation of 4,8,10-Trimethyl-2-(3,5-dimethylpyrazol)-pyrido-[2',3':3,4]-pyrazol[1,5-a]-pyrimidin 被引量:1
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作者 张珊珊 尹显洪 +2 位作者 刁开胜 胡飞龙 庄玥 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第6期879-884,共6页
A novel compound 4,8,10-trimethyl-2-(3,5-dimethylpyrazol)-pyrido-[2',3':3,4]-py-razol-[1,5-5-a]-pyrimidine(C17H18N6) has been synthesized from 2,6-dichloro-4-methylnico-tino-nitrile,hydrazine and acetylacetone ... A novel compound 4,8,10-trimethyl-2-(3,5-dimethylpyrazol)-pyrido-[2',3':3,4]-py-razol-[1,5-5-a]-pyrimidine(C17H18N6) has been synthesized from 2,6-dichloro-4-methylnico-tino-nitrile,hydrazine and acetylacetone by substitution and cyclolization.The structure was charac-terized by elemental analysis,1H NMR and IR,and single-crystal structure was determined by X-ray diffraction analysis.The compound crystallizes in the monoclinic system,space group P21/c with a = 8.0338(9),b = 28.618(3),c = 7.2688(8),β = 111.051(2)o,V = 1559.6(3) 3,Z = 4,Dc = 1.305 g/cm3,μ = 0.083 mm-1,Mr = 306.37,F(000) = 648,S = 0.971,the final R = 0.0795 and wR = 0.1746 for 1457 observed reflections(Ⅰ 〉 2σ(Ⅰ)).The results demonstrate that the pyridine,pyrazole and pyrimidine rings are nearly coplanar,which is evident from the dihedral angles among the four rings in the range of 0.13~4.15o.The face-to-face π-π stacking interactions among pyridine,pyrazol and pyrimidine rings result in a supramolecular crystal,in which they seem to be effective in stabilizing the structure.Meanwhile,the fluorescence properties of the title compound were discussed,which showed very strong fluorescence.The calculated results(selected bond lengths,bond angles and torsion angles) are all typical and agree well with the experimental results,which demonstrates that B3LYP/6-31+G* is suitable for the title compound. 展开更多
关键词 pyrido-[2' 3':3 4]-pyrazol[1 5-a]-pyrimidine synthesis crystal structure fluorescence properties
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Preparation and Fluorescence Properties of Co-doped Nanocomposite Film Based on Supra Molecular Structure 被引量:3
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作者 李贵安 李貅 +4 位作者 宋建平 李发荣 马少华 张玉荣 方晓玲 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第2期183-186,共4页
A novel materials design procedure based on the co-doping of metal nanoparticle and azo dye compound (MNPADC) is developed to improve the properties of functional molecules. The synthesized materials were characteri... A novel materials design procedure based on the co-doping of metal nanoparticle and azo dye compound (MNPADC) is developed to improve the properties of functional molecules. The synthesized materials were characterized by transmission electron micrograph (TEM), ultraviolet-visible absorption spectra (UV-Vis) and fluorescence spectra (FS). It was found that the fluorescence intensity of methyl orange (MO) was enhanced by 5 times in the aqueous composite system doped with silver nanoparticles whereas it was reduced by 15% and 20% in composite films with co-mixing and coating structures, respectively. The results indicate that the properties of functional molecules can be greatly improved in composite film with supra molecular structure and that the procedure presented here is effective. 展开更多
关键词 Supra molecular structure Nanocomposite film silver nanoparticles Methyl orange fluorescence properties
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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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Two Dehydroabietic Acid-based Arylamines: Synthesis, Crystal Structure and Fluorescent Properties 被引量:2
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作者 高宏 宋杰 +1 位作者 商士斌 宋湛谦 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第3期396-402,共7页
Two dehydroabietic acid-based arylamines have been synthesized and characterized by FTIR, 1H NMR, 13C NMR, MS spectra and elemental analysis. Their spatial structures were determined by X-ray diffraction analysis. UV-... Two dehydroabietic acid-based arylamines have been synthesized and characterized by FTIR, 1H NMR, 13C NMR, MS spectra and elemental analysis. Their spatial structures were determined by X-ray diffraction analysis. UV-Vis absorption and fluorescence spectral characteristics of these compounds in methanol were investigated. Their fluorescence emission spectra in different polarity solvents were further evaluated. Fluorescent properties and structural relationship of the compounds showed that fluorescence intensity and quantum yield inversely increase with the non-coplanar degree. In addition, the solvent polarity has different effects on the fluorescence emission spectra of two compounds. 展开更多
关键词 dehydroabietic acid-based arylamine synthesis crystal structure fluorescent property
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Hydrothermal Synthesis,Crystal Structure and Properties of a Novel Polyoxometalate {[CuⅡ(1,10-phen)]2[PMoⅥ11MoⅤO40]} [CuⅠ(C8N4H6)(C9H6NO)(H2O)] 被引量:1
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作者 林欣蓉 陈建新 +5 位作者 张力 兰婷燕 余友谊 柯志聪 胡丽珊 张治纯 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第3期437-443,共7页
A new pseudo three-dimensional framework structure of the title compound {[CuⅡ(1,10-phen)]2[PMoⅥ11MoⅤO40]}[CuⅠ(C8N4H6)(C9H6NO)(H2O)](1) has been prepared by the hydrothermal method for the first time and... A new pseudo three-dimensional framework structure of the title compound {[CuⅡ(1,10-phen)]2[PMoⅥ11MoⅤO40]}[CuⅠ(C8N4H6)(C9H6NO)(H2O)](1) has been prepared by the hydrothermal method for the first time and characterized by elemental analyses,X-ray single-crystal diffraction and IR spectra.1 consists of two building blocks,one {[CuⅡ(1,10-phen)]2[PMoⅥ11MoⅤO40]} and one [CuⅠ(C8N4H6)(C9H6NO)(H2O)] coordinated group.Singlecrystal X-ray diffraction revealed that 1 crystallizes in the monoclinic system,space group P2/c with a=13.498(4),b=12.890(3),c=21.465(8),β=97.314o,V=3704(2)3,Mr=2693.61,Z=2,Dc=2.415 Mg/m3,μ=2.915 mm-1,F(000)=2562,S=1.009,the final R=0.0583 and wR=0.1406 for 5129 observed reflections with I2σ(I).Furthermore,compound 1 shows strong fluorescent properties in the solid state at room temperature.The electrochemical behavior of 1 has also been studied by cyclic voltammograms. 展开更多
关键词 hydrothermal synthesis POLYOXOMETALATE crystal structure fluorescent property VOLTAMMOGRAMS
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Hydrothermal Synthesis,Crystal Structure and Luminescent Properties of an Organically Templated 2-D Uranyl Sulfate
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作者 郭鸿旭 翁文 王庆华 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第12期1455-1458,共4页
An organically templated 2-D uranyl sulfate, {(C2H8N)[(UO2)Cl(SO4)(H2O)] }n 1, has been hydrothermally synthesized. The crystal and molecular structures have been determined by X-ray crystallography method and... An organically templated 2-D uranyl sulfate, {(C2H8N)[(UO2)Cl(SO4)(H2O)] }n 1, has been hydrothermally synthesized. The crystal and molecular structures have been determined by X-ray crystallography method and spectral techniques. 1 belongs to monoclinic, space group P21/c with a = 8.3545(17), b = 10.550(2), c = 12.370(3)A, β = 102.64(3)°, V = 1063.9(4)A3, Mr = 464.64, De= 2.901 g/cm^3, F(000) = 836,μ = 15.710 mm^-1, Z= 4, the final R = 0.0286 and wR = 0.0685 for 10164 observed reflections with Ⅰ 〉 2σ(Ⅰ). 1 presents a two-dimensional layer-like structure constructed from infinite anionic [(UO2)Cl(H2O)(SO4)]^- layers with [C2H8N]^+ cations balancing the charge and a number of intermoleeular hydrogen bonds (C-H…O and O-H…Cl) existing in the solid state. The fluorescence properties of 1 have also been discussed. 展开更多
关键词 hydrothermal synthesis crystal structure fluorescence properties 2-D layer-like uranyl sulfate
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Synthesis,Structure,and Properties of{[Mn(ADA)(Phen)]·(H2O)2}n Constructed from Azobenzene-4,4'-dicarboxylic Acid and 1,10-Phenanthroline
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作者 侯向阳 王潇 +4 位作者 唐龙 王记江 侯秀芳 康伟伟 刘晓莉 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第7期1125-1132,共8页
One coordination polymer(CP) {[Mn(ADA)(Phen)](H2O)2}n(1, H2ADA = azobenzene-4,4'-dicarboxylic acid, Phen = 1,10-phenanthroline), has been synthesized via hydrothermal reactions. CP 1 was characterized by el... One coordination polymer(CP) {[Mn(ADA)(Phen)](H2O)2}n(1, H2ADA = azobenzene-4,4'-dicarboxylic acid, Phen = 1,10-phenanthroline), has been synthesized via hydrothermal reactions. CP 1 was characterized by elemental analyses, IR spectra, thermal behaviors, and X-ray single-crystal diffraction. In CP 1, each ADA(2-) ligand bridges two Mn(2+) to give one-dimensional zigzag chains with the Mn···Mn separations of 17.6911 and 16.3976 A, which generates a three-dimensional supramolecular structure by means of strong π···π interaction and hydrogen bonding. It crystallizes in triclinic, space group P1, with a = 7.6200(13), b = 9.1530(15), c = 18.262(2) A, α = 88.467(3)o, β = 84.145(2)o, γ = 77.542(2)o, V = 1237.2(3) A3, Z = 2, C(26)H(20)MnN4O6, Mr = 539.40, Dc = 1.448 g/cm3, F(000) = 554, S = 1.018, R = 0.0531 and w R = 0.1094. In addition, natural bond orbital analysis was performed by the B3 LYP/LANL2 DZ method of Gaussian 09 Program. The fluorescence, magnetic, and electrochemical properties of 1 have been investigated. 展开更多
关键词 synthesis structure fluorescence magnetic electrochemical properties
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Synthesis, Single-crystal Structure and Fluorescence Property of a New Boron Compound Based on 2-(2'-hydroxyphenyl)-1H-benzimidazole
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作者 尹国杰 楚希杰 +3 位作者 张涛 毛海舫 王朝阳 阳勇福 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2018年第12期1994-2002,1847,共10页
A new boron compound [C27H21BN4O3] based on 2-(2?-hydroxyphenyl)-1 Hbenzimidazole has been synthesized and characterized by single-crystal X-ray diffraction, and its crystal crystallizes in the monoclinic system, spac... A new boron compound [C27H21BN4O3] based on 2-(2?-hydroxyphenyl)-1 Hbenzimidazole has been synthesized and characterized by single-crystal X-ray diffraction, and its crystal crystallizes in the monoclinic system, space group P21/n with a = 9.6544(5), b = 14.1558(8), c = 16.4314(9) ?, β = 97.730°, Mr = 460.29, V = 2225.2(2) ?~3, Z = 4, Dc = 1.374 g/cm~3, μ = 0.74 mm-1, S = 1.051, F(000) = 960, the final R = 0.0643 and w R = 0.1569 for 2233 observed reflections(I > 2σ(I)). The title compound is a B(III) center mononuclear molecule in the asymmetric unit. The typical structural characteristic of the title compound is the methanol group adopting a μ2-bridging mode to link two different adjacent chelating modes though two types of hydrogen bonds to form a one-dimensional supramolecular structure. Additionally, aromatic π-π stacking interactions between adjacent benzimidazolyl groups lead to a three-dimensional network. Furthermore, the stability and fluorescence property revealed the potential applications in the organic photoelectric material. 展开更多
关键词 synthesis crystal structure STABILITY fluorescence property
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Hydrothermal Synthesis, Crystal Structure and Fluorescent Property of a Cd(Ⅱ) Complex Based on Biimidazole and Isonicotinate-N-oxide 被引量:4
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作者 毛稳玲 胡宗球 丁瑜 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第4期587-591,共5页
A new complex [Cd(H2biim)2(H2O)2]·(ino)2·4H2O (H2biim = 2,2'-biimidazole, ino = isonicotinate-N-oxide) has been prepared and characterized by single-crystal X-ray diffraction analysis, IR and fluore... A new complex [Cd(H2biim)2(H2O)2]·(ino)2·4H2O (H2biim = 2,2'-biimidazole, ino = isonicotinate-N-oxide) has been prepared and characterized by single-crystal X-ray diffraction analysis, IR and fluorescence spectra analysis. The crystal is of triclinic system, space group P1 with a = 7.5380(6), b = 8.0402(7), c = 13.5094(11) , α = 104.269(1), β = 93.604(1), γ = 98.349(1)°, V = 780.93(11) 3, Mr = 765.00, Dc = 1.627 g/cm3, F(000) = 390, μ = 0.776 mm-1 and Z = 1. The final R = 0.0322 and wR = 0.0825 for 7038 observed reflections with I 2σ(I) and R = 0.0341 and wR = 0.0832 for all data. The title complex exhibits an infinite chain-like structure through bridging isonicotinate-N-oxide. Strong interchain hydrogen bonds between isonicotinate-N-oxide and H2biim result in the robust 3-D supramolecular architecture. Moreover, the complex shows strong photoluminescence with emission maximum at λ = 401 nm upon λex = 330 nm. 展开更多
关键词 cadmium(Ⅱ) complex crystal structure 2 2-biimidazole isonicotinc acid N-oxide hydrothermal synthesis fluorescent property
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Hydrothermal Synthesis, Crystal Structure and Fluorescent Property of a Keggin Polyoxometalate [Cu^I(2,2'-bipy)_2]_3[PW^(Ⅵ)_(12)O_(40)] 被引量:1
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作者 兰婷燕 陈建新 +4 位作者 魏春霞 李忠水 黄远标 张文杰 张治纯 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第3期368-373,共6页
A Keggin-type tungstohosphate compound [Cu^l(2,2'-bipy)2]3[PW^Ⅵ12O40] 1 (bipy = bipyddine) was prepared by the hydrothermal method for the first time. Single-crystal X-ray diffraction revealed that 1 (C60H48Cu3... A Keggin-type tungstohosphate compound [Cu^l(2,2'-bipy)2]3[PW^Ⅵ12O40] 1 (bipy = bipyddine) was prepared by the hydrothermal method for the first time. Single-crystal X-ray diffraction revealed that 1 (C60H48Cu3N12O40PW12) crystallizes in the monoclinic system, space group P21/c with a = 16.9837(10), b = 17.9732(13) c = 27.8701(13)A°, β = 96.1039(10)°, V = 8459.2(9) A°^3, Mr = 4004.89, Z = 4, Dc = 3.145 g/cm^3, μ = 17.089 mm^-1, F(000) = 7208, S = 1.005, the final R = 0.0469 and wR = 0.0827 for 10807 observed reflections (I 〉 2σ(I)). Compound 1 consists of one discrete normal Keggin polyanion [PW^Ⅵ 12O40]^3- and three isolated coordinated cations [Cu^1(2,2'-bipy)2]^+. Significantly, there exist three crystallographically independent asymmetric reduced copper (I) centers in 1. Furthermore, the compound shows strong photoluminescence property in solid state at room temperature. 展开更多
关键词 POLYOXOMETALATE hydrothermal synthesis crystal structure Keggin-type fluorescent property
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Crystal Structure and Electrochemical, Fluorescent and Magnetic Properties of a New Complex [Ag(2,2ˊ-bipy)(C_(14)H_9O_3)]·(C_(14)H_(10)O_3) 被引量:1
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作者 李薇 李昶红 +1 位作者 杨颖群 李衡峰 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2014年第11期1593-1596,共4页
A novel silver(I) complex [Ag(2,2ˊ-bipy)(C14H9O3)]·(C14H10O3) has been synthesized with 2-benzoylbenzoic acid as the ligand. Crystal data for the title complex: monoclinic, space group Cc, a = 27.4089... A novel silver(I) complex [Ag(2,2ˊ-bipy)(C14H9O3)]·(C14H10O3) has been synthesized with 2-benzoylbenzoic acid as the ligand. Crystal data for the title complex: monoclinic, space group Cc, a = 27.4089(13), b = 10.2897(5), c = 12.0024(6)A, β = 111.864(4)°, Mr = 715.49, V = 3141.5(3) A3, Dc = 1.513 g/cm^3, Z = 4, μ(Mo Kα) = 0.694 mm^-1, F(000) = 1456, the final R = 0.0473 and w R = 0.1146. In the title complex, the central Ag(I) ion is located in a triangular coordination environment. The electron transfer is quasi-reversible in the electrode reaction and it shows a strong emission peak in the range of 495-520 nm under 502 nm excitation. In addition, it displays diamagnetic property from 3 to 300 K. 展开更多
关键词 silver(I) complex crystal structure ELECTROCHEMICAL fluorescent and magnetic properties
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Ionothermal Synthesis and Fluorescence Property of a Complex Constructed by Seven Nuclear(CH_3COO)_2Co_7(OH)_2] Clusters and 4,4'-Oxybisbenzoic Acid Ligand 被引量:1
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作者 李飒英 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2016年第6期980-986,共7页
A new 3D cobalt metal-organic framework [C_7H_(13)N_2]_2[(CH_3COO)_2Co_7(oba)_5-(Hoba)_2(OH)_2]·H_2O has been synthesized under ionothermal conditions and characterized by elemental analysis, FT-IR, XRD... A new 3D cobalt metal-organic framework [C_7H_(13)N_2]_2[(CH_3COO)_2Co_7(oba)_5-(Hoba)_2(OH)_2]·H_2O has been synthesized under ionothermal conditions and characterized by elemental analysis, FT-IR, XRD, and TG. This complex crystallizes in monoclinic system, space group P21/c with a = 19.4499(4), b = 10.8839(2), c = 27.7796(5) ?, β = 104.467(2)o, V = 5694.22(19) ?~3, Z = 2, C_(116)H_(92)Co_7N_4O_(42), M_r = 2626.45, D_c = 1.532 g/cm^3 , F(000) = 2682, μ = 1.085 mm-1, R = 0.0387 and wR = 0.1177. Its structure is characterized as a 3D open framework constructed by seven nuclear clusters [(CH_3COO)_Co_7(OH)_2] and the 4,4?-oxybisbenzoic acid ligand. The used ILs cations are located in the middle of the pore and compensate for the negative charges of framework. Furthermore, its fluorescence property has also been studied. 展开更多
关键词 cobalt complex ionothermal synthesis crystal structure fluorescence property
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Hydrothermal Synthesis,Crystal Structure and Fluorescent Property of a Novel Polyoxometalate [H_6Mo_8^(VI)O_(27)]·3C_4N_2H_(10)
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作者 林欣蓉 陈建新 +4 位作者 张文杰 李忠水 兰婷燕 朱美平 李爱科 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第9期1144-1148,共5页
A new infinite three-dimensional framework structure of the title compound [H6Mo^VI8O27]·3C4N2H10 has been synthesized under mild hydrothermal conditions and characterized by elemental analyses, IR, fluorescent s... A new infinite three-dimensional framework structure of the title compound [H6Mo^VI8O27]·3C4N2H10 has been synthesized under mild hydrothermal conditions and characterized by elemental analyses, IR, fluorescent spectra and single-crystal X-ray diffraction. C12H36Mo8N6O27 crystallizes in the triclinic system, space group P1^- with a = 8.820(3), b = 9.534(3), c = 10.993(4)A, α= 99.985(17), β = 106.65(2), γ= 101.650(14)°,V = 840.6(5)A^3, Mr = 1463.99, Z = 1, Dc = 2.892 g/cm^3,μ = 2.993 mm^-1, F(000) = 702, the final R = 0.0676, wR = 0.1920 and S = 1.074 for 2196 observed reflections with I 〉 2σ(I). The title compound exhibits a novel infinite three-dimensional (3D) framework composed of a [H6Mo^VI8O27] subunit and three dissociated piperazine fragments. The complex exhibits two strong fluorescent emission bands at ca. 417 and 440 nm (λex = 378nm) in the solid state at room temperature. 展开更多
关键词 hydrothermal synthesis POLYOXOMETALATE crystal structure 3D framework fluorescent property
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Hydrothermal Synthesis,Crystal Structure and Fluorescent Property of a Novel Mo(V) Phosphate [Zn(Mo^v_6P_4O_(31)H_(10))_2(C_4H_(14)N_3)_2]·2C_4H_(13)N_3·8H_2O
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作者 WEI Chun-Xia CHEN Jian-Xin ZHANG Zhi-Chun LANTing-Yan HUANG Yuan-Biao LI Zhong-Shui ZHANG Wen-Jie 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第9期1071-1077,共7页
A new molybdenum phosphate [Zn(Mo^v6P4O31H10)2(C4H144N3)2].2C4H13N3.8H2O 1 (C4H13N3 = diethylenetriamine) has been synthesized under hydrothermal condition. Single-crystal X-ray diffraction reveals that compound... A new molybdenum phosphate [Zn(Mo^v6P4O31H10)2(C4H144N3)2].2C4H13N3.8H2O 1 (C4H13N3 = diethylenetriamine) has been synthesized under hydrothermal condition. Single-crystal X-ray diffraction reveals that compound 1 crystallizes in the monoclinic, space group P21/n, a = 13.1679(3), b = 22.1240(6), c = 13.6146(3) A, β= 103.4847(7)°, V = 3856.95(16) A^3, C16H90N12O70P8ZnMo12, Mr = 3035.41, Z = 2, Dc = 2.614 g/cm^3, μ = 2.483 mm^-1, F(000) = 2968, S = 1.014, the final R = 0.0196 and wR = 0.0506 for 7486 observed reflections (1 〉 2σ(I)). Compound 1 consists of two identical rings of six edge-sharing MoOt, octahedra interconnected by one ZnO6 octahedron, whereas the PO4 tetrahedra which share their apices with the MoO6, octahedra are only located on one side of each Mo6, ring. The 2-charge of polyanion [Zn(Mo^v6P4O31H10)2]^2- unit is compensated in the crystal by two mono-protonated diethylenetriamines (C4H14N3)^+. By hydrogen bonding interactions the polyanion of compound 1 is interconnected to form pseudo threedimensional molybdophosphate. Other characterizations by elemental analyses, IR spectrum and fluorescent spectrum are also described. 展开更多
关键词 molybdenum(V) phosphate hydrothermal synthesis crystal structure fluorescent property
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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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新型无机-有机杂化化合物NH_(4)[Cu_(3)^(I)(C_(10)H_(8)N_(2))_(3)Mo_(8)O_(26)]的合成、结构及性能
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作者 张冠宇 徐菲 +3 位作者 郝玉成 梁升 尹奇异 张全争 《合成化学》 CAS 2024年第1期73-80,共8页
水热法合成了一个无机-有机杂化的NH_(4)[Cu_(3)^(I)(C_(10)H_(8)N_(2))_(3)Mo_(8)O_(26)]化合物,通过元素分析和单晶X-射线衍射进行了表征。化合物为三斜晶系,P1空间群,晶胞参数a=1.08763(9)nm,b=1.12674(10)nm,c=1.13067(10)nm,α=68.... 水热法合成了一个无机-有机杂化的NH_(4)[Cu_(3)^(I)(C_(10)H_(8)N_(2))_(3)Mo_(8)O_(26)]化合物,通过元素分析和单晶X-射线衍射进行了表征。化合物为三斜晶系,P1空间群,晶胞参数a=1.08763(9)nm,b=1.12674(10)nm,c=1.13067(10)nm,α=68.4820(10)°,β=83.523(2)°,γ=64.4180(10)°,V=1.16095(2)nm^(3),Z=1,Dc=2.661 g/cm^(3),Mr=1860.73,μ(MoKα)=35.22 cm^(-1),F(000)=888,R=0.0478,wR=0.099。化合物的结构包含2个结晶学上独立的铜原子、不连续的多氧阴离子β-[Mo_(8)O_(2)6]4-和无限扩展的[Cu I(C_(10)H_(8)N_(2))]链。每一个铜原子为类似的{CuN_(2)}配位模式,被4,4’-联吡啶连接成一维沿a轴方向的[Cu(C 10 H 8 N 2)]+链。分子结构中存在氢键和π…π作用。对化合物的热稳定性、荧光性质也进行了研究。 展开更多
关键词 多氧阴离子 β-[Mo 8 O 26]4- 晶体结构 水热合成 热稳定性 荧光性能
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2维Zn-LCP纳米材料荧光感应Cr_(2)O_(7)^(2-)和L-胱氨酸的研究
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作者 林涛海 张军 +2 位作者 葛庆 张钢强 张美丽 《江西师范大学学报(自然科学版)》 CAS 北大核心 2024年第2期158-166,共9页
该文利用柔性间苯二乙酸(H_(2)mpda)和刚性共轭体均苯三咪唑(tib)水热合成发光配位聚合物[Zn_(3)(tib)_(2)(mpda)_(3)]_(n)·5H_(2)O(Zn-LCP).mpda^(2-)的2个羧基均与金属Zn(Ⅱ)单齿配位形成1维波浪链,tib作为三节点与金属Zn(Ⅱ)配... 该文利用柔性间苯二乙酸(H_(2)mpda)和刚性共轭体均苯三咪唑(tib)水热合成发光配位聚合物[Zn_(3)(tib)_(2)(mpda)_(3)]_(n)·5H_(2)O(Zn-LCP).mpda^(2-)的2个羧基均与金属Zn(Ⅱ)单齿配位形成1维波浪链,tib作为三节点与金属Zn(Ⅱ)配位形成1维带状链,2个链通过Zn(Ⅱ)交接构成2维面,面与面通过π-π作用力堆积形成3维超分子体.Zn-LCP比表面积(BET)为19 m^(2)·g^(-1),量子产率为25.22%.Zn-LCP具有较好的荧光性能,对在水中的Cr_(2)O_(7)^(2-)离子和L-胱氨酸感应良好,检出限分别为0.34μm^(-1)和3.6 nmol·L^(-1),荧光猝灭率分别为68.3%和98.3%,高于文献报道值.其荧光猝灭机理是共振能量转移和竞争吸收. 展开更多
关键词 配位聚合物 水热合成 晶体结构 热稳定性 荧光性能 污染物 猝灭机理
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一例锶配合物的合成、结构及表征
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作者 保玉婷 梁毅农 孙赞 《人工晶体学报》 CAS 北大核心 2024年第2期293-299,共7页
在溶剂热条件下,以1,4,5,8-萘四羧酸(H_(4)L1)为配体,六水合氯化锶为金属源合成了一例锶配合物[Sr(L)_(2)(H_(2)O)_(4)]_(n)(1)。通过元素分析(EA)、X射线单晶衍射(SXRD)、X射线粉末衍射(PXRD)、红外光谱(IR)和热重分析(TGA)进行结构表... 在溶剂热条件下,以1,4,5,8-萘四羧酸(H_(4)L1)为配体,六水合氯化锶为金属源合成了一例锶配合物[Sr(L)_(2)(H_(2)O)_(4)]_(n)(1)。通过元素分析(EA)、X射线单晶衍射(SXRD)、X射线粉末衍射(PXRD)、红外光谱(IR)和热重分析(TGA)进行结构表征。X射线单晶衍射结果表明,1,4,5,8-萘四羧酸(H_(4)L1)发生原位反应生成1,3-二氧代-1H,3H-苯并[脱]异色烯-6,7-二羧酸(H2L)。在配合物1中,每个锶原子位于四方反棱柱的几何构型中,配体连接金属延伸形成一维链状结构,链与链之间通过氢键与π…π堆积作用形成2D超分子结构。探究了配合物的固态发光行为,发现配合物在211 nm的激发波长下产生宽的发射光谱带(450~690 nm),并在535 nm处出现最大发射波长,因此可知配合物是一种潜在的绿光材料。 展开更多
关键词 溶剂热合成 锶配合物 晶体结构 荧光性质 原位反应
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2-萘甲酸/1,10-菲啰啉共同构筑Mn(II)配合物的合成及固态发光
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作者 任娜娜 江旭滢 +3 位作者 宋合兴 史福林 王雅茹 孙赞 《人工晶体学报》 CAS 北大核心 2024年第10期1776-1783,共8页
在溶剂热条件下,以2-萘甲酸(HL)与1,10-菲啰啉(phen)为配体、碳酸锰为金属源合成了一例双核锰配合物[Mn_(2)(L)_(4)(phen)_(2)(H_(2)O)_(2)](1)。通过单晶X射线衍射、元素分析、傅里叶变换红外光谱、粉末X射线衍射和热重分析等对配合物... 在溶剂热条件下,以2-萘甲酸(HL)与1,10-菲啰啉(phen)为配体、碳酸锰为金属源合成了一例双核锰配合物[Mn_(2)(L)_(4)(phen)_(2)(H_(2)O)_(2)](1)。通过单晶X射线衍射、元素分析、傅里叶变换红外光谱、粉末X射线衍射和热重分析等对配合物1进行结构表征。单晶衍射分析表明配合物1属于三斜晶系,P1空间群,晶胞参数为a=0.76989(5)nm,b=1.17586(5)nm,c=1.66830(9)nm,α=107.074(5)°,β=96.167(5)°,γ=106.901(5)°。不对称单元由一个锰离子、两个2-萘甲酸根、一个1,10-菲啰啉和一个水分子组成,Mn(II)呈扭曲的八面体构型。两个不对称单元之间通过羧基氧原子桥接形成双核分子,双核结构之间通过π…π堆积作用形成2D超分子结构。荧光光谱分析结果表明:配合物1具有良好的荧光性能,最大发射波长为416 nm(λ_(ex)=302 nm)。热重分析表明配合物1能够稳定到117℃,之后开始失水(失水量为3.18%),脱水之后的结构能稳定到223℃,之后有机骨架开始坍塌。Hirshfeld表面分析研究了分子间的相互作用。 展开更多
关键词 双核Mn(II)配合物 溶剂热合成 晶体结构 2-萘甲酸 荧光性质 表面分析
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含5-(2-吡嗪基)-1 H-四氮唑配体的新型锶配合物的合成及固态荧光性质
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作者 赵成兄 杨周吉 孙赞 《合成化学》 CAS 2024年第4期319-324,共6页
锶配合物因其优异的催化活性和荧光性质吸引了众多研究者的兴趣。在溶剂热条件下,以氯化锶为金属源,以2-吡嗪基四氮唑(HL)、胡椒酸(HL_(1))为配体,以DMF-水体系为溶剂合成了新型的单核锶配合物{[Sr(L)_(2)]·2H_(2)O}_(n)(I),其结... 锶配合物因其优异的催化活性和荧光性质吸引了众多研究者的兴趣。在溶剂热条件下,以氯化锶为金属源,以2-吡嗪基四氮唑(HL)、胡椒酸(HL_(1))为配体,以DMF-水体系为溶剂合成了新型的单核锶配合物{[Sr(L)_(2)]·2H_(2)O}_(n)(I),其结构通过EA、SXRD、PXRD、IR和TGA进行了表征。单晶X-射线衍射结果表明:配合物I结晶于单斜晶系P2_(1)/n空间群,Sr呈略微扭曲的八面体几何构型,而胡椒酸没有参与配位。单核分子之间通过O—H···N氢键相互作用连接形成二维超分子网络结构。固体荧光研究表明:Sr配合物具有良好的荧光性能,最大发射波长为450 nm(λ_(ex)=223 nm),进一步表明I是一种潜在的蓝光材料。 展开更多
关键词 锶配合物 溶剂热合成 氢键 超分子结构 荧光性质
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