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Mn(Ⅱ) Based Coordination Polymer Involving 1,2,4,5-Benzenetetraboxylic Acid and 4,4-Bis(imidazol-1-ylmethyl)biphenyl: Synthetic, Structure and Magnetic Property 预览
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作者 王潇 韩友 +4 位作者 韩星星 邹彩常 刘怡阳 李婧 侯向阳 结构化学 SCIE CAS CSCD 2019年第5期791-796,670共7页
A novel Mn(Ⅱ)coordination polymer(CP),[Mn(BBA)0.5(BIYB)]n(1),was gained by the 1,2,4,5-benzenetetracarboxylic acid(H4BBA),4,4-bis(imidazol-1-ylmethyl)biphenyl(BIYB),and Mn(CH3COO)2·4H2O under hydrothermal reacti... A novel Mn(Ⅱ)coordination polymer(CP),[Mn(BBA)0.5(BIYB)]n(1),was gained by the 1,2,4,5-benzenetetracarboxylic acid(H4BBA),4,4-bis(imidazol-1-ylmethyl)biphenyl(BIYB),and Mn(CH3COO)2·4H2O under hydrothermal reaction.CP 1 was characterized and structurally determined by elemental analyses,PXRD,IR spectra,thermal behaviors,and X-ray single-crystal diffraction.The framework structure of 1 shows a novel(2,5,6)-connected 3Dnetwork with a Schlafli symbol of(4^3.6^6.8)^2(4^6.6^9)(6)^2.It crystallizes in triclinic system,space group P1,with a=7.5898(5),b=9.8201(6),c=14.1307(9)A,α=97.5850(10),β=99.6810(10),γ=111.6580(10)o,V=943.01(10)A3,Z=2,C23H15MnN 4O4,Mr=466.33,Dc=1.462 g/cm^3,F(000)=476,S=1.082,R=0.0361 and wR=0.1008.The magnetic property of CP 1 was investigated.The weak antiferromagnetic interactions are observed between the Mn(Ⅱ)ions. 展开更多
关键词 synthesis STRUCTURE magnetic properties
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Synthesis, Structure and Fluorescence Property of a New Mn-MOFs Based on a Tetraphenylethane (TPE) Ligand 预览
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作者 李俊峰 许秀典 +1 位作者 周磊 汪芳明 结构化学 SCIE CAS CSCD 2019年第5期797-802,671共7页
A new 3D luminescent Mn-MOF is synthesized based on a tetraphenylethane-core ligand 1,1,2,2-tetrakis(4-(1H-imidazol-1-yl)phenyl)ethene(tipe),with the formula[Mn(tipe)(bcpf)·(DMF)]n(1,bcpf=4,4?-sulfonyldibenzoic a... A new 3D luminescent Mn-MOF is synthesized based on a tetraphenylethane-core ligand 1,1,2,2-tetrakis(4-(1H-imidazol-1-yl)phenyl)ethene(tipe),with the formula[Mn(tipe)(bcpf)·(DMF)]n(1,bcpf=4,4?-sulfonyldibenzoic acid).Compound 1 crystallizes in the triclinic system,space group P1,with a=12.951(2),b=14.235(2),c=14.375(2)A,α=90.015(2)°,β=108.181(2)°,γ=99.368(2)°,V=2480.6(6)A3,Z=2,Mr=1028.98,Dc=1.378 g/cm3,μ=0.372 mm-1,F(000)=1066,R=0.0479 and wR=0.1066 for 5927 observed reflections(Ⅰ>2σ(Ⅰ)).Its topological analysis displays that 1 is a double interpenetrating architecture.The Mn atom bridges the tipe ligands to form the 1-dimensional chains into a 2-dimensional layered structure,and then connects the auxiliary ligands to get a 3-dimensional structure.What’s more,luminescent spectra of 1 show that it emits strong blue light caused by ligand-to-ligand charge transfer of TPE chromophore. 展开更多
关键词 tetraphenylethane STRUCTURE LUMINESCENT METAL-ORGANIC framework
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A New Hemi-and Holo-directed Lead(Ⅱ) Complex in Soft Ligand Environment 预览
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作者 谢璐璐 才华 +3 位作者 张阳 刘若冰 杨建辉 王欣怡 结构化学 SCIE CAS CSCD 2019年第5期803-810,671共9页
One new three-dimensional polymeric PbⅡ complex,[Pb3(CTA)2(H2 O)2]n·nH2O(1),(H3 CTA = cis,cis-1,3,5-cyclohexanetricarboxylic acid), has been synthesized. Single-crystal X-ray diffraction analyses reveal that com... One new three-dimensional polymeric PbⅡ complex,[Pb3(CTA)2(H2 O)2]n·nH2O(1),(H3 CTA = cis,cis-1,3,5-cyclohexanetricarboxylic acid), has been synthesized. Single-crystal X-ray diffraction analyses reveal that complex 1 has a three-dimensional architecture consisting of Pb2O2 dimeric building units, which shows two types of PbⅡ centers(eight-coordinated Pb(1),six-coordinated Pb(2) and Pb(3)). The eight-coordinated Pb(1) center possesses a stereochemically ‘inactive’ electron lone pair, and the coordination sphere is holodirected. However, the arrangement of oxygen atoms around Pb(2) and Pb(3) suggests a gap or hole in the coordination geometry. The stereo-chemically ‘active’ electron lone pairs of Pb(2) and Pb(3) possibly occupy these ‘holes’ and their coordination spheres are hemidirected. Its properties have been determined by FT-IR spectra, elemental analyses and thermogravimetric analyses(TGA). Solid-state luminescent properties of 1 also have been determined, indicating strong fluorescent emissions. 展开更多
关键词 lead(Ⅱ) complex SOLID-STATE LUMINESCENT holodirected hemidirected
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A Dy(Ⅲ)-K(Ⅰ)-biphenyl-3,3?-disulfonyl-4,4?-dicarboxylate Compound: Structure and Luminescence 预览
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作者 王志琴 周丽娟 王玉玲 结构化学 SCIE CAS CSCD 2019年第7期1194-1199,共6页
A coordination polymer based on the carboxylate-sulfonate ligand of biphenyl-3,3?-disulfonyl-4,4’-dicarboxylate(BPDSDC4–), namely,[DyK(BPDSDC)(H2 O)4]n(1), was synthesized and characterized. Compound 1 crystallizes ... A coordination polymer based on the carboxylate-sulfonate ligand of biphenyl-3,3?-disulfonyl-4,4’-dicarboxylate(BPDSDC4–), namely,[DyK(BPDSDC)(H2 O)4]n(1), was synthesized and characterized. Compound 1 crystallizes in the triclinic system, space group P1 with a = 6.3950(4), b = 12.8171(9), c = 15.8005(10) A,α= 109.5430(10),β= 90.8050(10),γ= 102.7170(10)°, V = 1185.12(13) A3, Z = 2, C14 H14 O14 S2 KDy, Mr = 671.97, Dc = 1.883 g/cm^3,μ= 3.567 mm^-1, F(000)= 654, the final R = 0.0262 and wR = 0.0718 for 4408 observed reflections with I > 2σ(I). In compound 1, the eight-coordinated Dy(III) and nine-coordinated K(I) ions are connected by the carboxylate and sulfonate groups as well as bridging water molecules to generate a one-dimensional(1 D) ribbon structure. The ribbons are linked by the biphenyl moieties of BPDSDC4– ligands to give a two-dimensional(2 D) double layered structure. The 2 D layers are further linked by the interlayered hydrogen bonds between the coordinated water molecules and sulfonate oxygen atoms to form a three-dimensional(3 D) packing. Compound 1 shows characteristic Dy(III) luminescence emission. 展开更多
关键词 DYSPROSIUM coordination polymer biphenyl-3 3′-disulfonyl-4 4'-dicarboxylate LUMINESCENCE crystal STRUCTURE
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In Situ Synthesis, Structural Characterization and Catalytic Properties of a 2D Cu(Ⅰ)-cyanide Coordination Polymer 预览
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作者 杨英杰 王福生 董桂英 结构化学 SCIE CAS CSCD 2019年第5期811-818,671共9页
A new Cu(Ⅰ) coordination polymer(CP) formulated as [Cu2(L)(CN)2]n(1, L =1,1′-bis(5,6-dimethylbenzimidazole)methane) was synthesized, in which the cyanide anions were generated in situ by the cleavage of C–C bond of... A new Cu(Ⅰ) coordination polymer(CP) formulated as [Cu2(L)(CN)2]n(1, L =1,1′-bis(5,6-dimethylbenzimidazole)methane) was synthesized, in which the cyanide anions were generated in situ by the cleavage of C–C bond of acetonitrile under hydrothermal conditions. CP 1 was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. It crystallizes in the orthorhombic system, Pccn space group, with a = 10.314(3), b = 20.966(7), c =9.432(3)?, V = 2039.5(11)?3, Z = 4, C21 H20 Cu2 N6, Mr = 483.51, Dc = 1.575 g×cm^-3,μ= 2.105 mm-1 and F(000)= 984, the final R = 0.0608 and wR = 0.1942 for 1226 observed reflections with Ⅰ> 2s(Ⅰ)for the CP 1. The CP 1 possesses a 2D {63} layer structure which is composed of Cu(Ⅰ) centers bridged by L and CN– ligands. The thermal stability and luminescence properties of CP 1 are discussed in detail. The complex also displays a remarkable activity for the degradation of methyl orange by hydrogen peroxide in a Fenton-like process. 展开更多
关键词 Cu(Ⅰ) coordination polymer crystal structure CATALYTIC PROPERTY in SITU reaction luminescence PROPERTY
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Synthesis, Structure and Aggregationinduced Emission Characteristics of Two Diaryquioxaline Derivatives 预览
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作者 肖勋立 李芬芬 +1 位作者 肖勋文 温一航 结构化学 SCIE CAS CSCD 2019年第7期1200-1206,共7页
Two new diaryquioxaline derivatives, C21H10N2S3Br2 (1) and C21H10Br2N2OS2(2), have been successfully synthesized. These two compounds have been determined by single-crystal X-ray diffraction analyses. Compound 1 cryst... Two new diaryquioxaline derivatives, C21H10N2S3Br2 (1) and C21H10Br2N2OS2(2), have been successfully synthesized. These two compounds have been determined by single-crystal X-ray diffraction analyses. Compound 1 crystallizes in monoclinic system, space group P21/n with a = 12.7896(3), b = 6.0613(2), c = 26.1153(7) A,β= 94.1810(10)°, V = 2018.(97) A^3, Z = 4, C21H10N2S3Br2, Mr = 546.32, Dc = 1.797 g/cm^3 and F(000)= 1072. The final R = 0.0343 and wR = 0.785 for 3585 observed reflections with I> 2σ(I). Compound 2 crystallizes in monoclinic system, space group P2x/n with a = 7.8638(4), b = 14.3447(7), c = 17.8936(8) A, β = 96.6980(10)°, V = 2004.69(17) A3, Z = 4, C21H10Br2N2OS2, Mr = 530.25, Dc = 1.757 g/cm^3 and F(000)= 1040. The final R = 0.0988 and wR = 0.1108 for 4613 observed reflections with I > 2σ(I). By combination of diarylquinoxaline core and a 1,3-dithiole-2-thione unit, compound 1 is used as "turn on" chemosensors for Hg^2+by making use of the aggregation-induced emission (AIE) feature of diarylquinoxaline core and the specific reaction of 1,3-dithiole-2-thione with Hg^2+. 展开更多
关键词 diaryquioxaline DERIVATIVES CRYSTAL STRUCTURE aggregation-induced EMISSION
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A New Manganese(Ⅱ) Coordination Compound Constructed by 1,10-Phenanthroline Derivative and Chlorine Anions: Synthesis, Crystal Structure and Theoretical Calculation 预览
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作者 王秀艳 高文昱 +3 位作者 周筱绗 刘东雪 胡波 孔治国 结构化学 SCIE CAS CSCD 2019年第5期819-824,671共7页
The new manganese(Ⅱ) coordination compound,[Mn(Cl)2(L)2](1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine), has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crysta... The new manganese(Ⅱ) coordination compound,[Mn(Cl)2(L)2](1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine), has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. 1 crystallizes in monoclinic system, space group C2/c with a = 8.419(2), b = 12.286(2), c = 28.451(6)A,β= 95.889(3)°, V =2927.5(10)A3, Z = 4, C36 H16 MnF2 Cl2 N8, Mr = 724.41, Dc = 1.644 g/cm3, F(000)= 1460,μ(Mo Ka)= 0.691 mm-1, R = 0.0445 and wR = 0.0982. Adjacent compounds are stacked by one type of π-πinteraction among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interaction among L ligands to give a 2D supramolecular layer. Moreover, the C-F···π interactions between the carbon atom of the L ligand and the pyrazine ring of the adjacent L ligand further stabilize the supramolecular layer of 1. In addition, natural bond orbital(NBO) analysis has been calculated by the B3LYP/LANL2DZ method, which shows obvious covalent interaction between the coordinated atoms and Mn(Ⅱ) ion. 展开更多
关键词 crystal structure coordination compound 11-fluoro-dipyrido[3 2-a? 3?-c]phenazine manganese(Ⅱ) theoretical calculation
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Syntheses, Structures and Properties of Three Novel La(Ⅲ)/Co(Ⅱ) Coordination Polymers Based on 5-(3-(Tetrazo-5-yl)phenyl)isophthalic Acid 预览
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作者 翟丽军 高玲玲 +3 位作者 张婕 贾焦焦 牛宇岚 胡拖平 结构化学 SCIE CAS CSCD 2019年第7期1207-1215,共9页
Three novel complexes, namely {[La(tapipa)(4,4′-bibp)·(H2O)2]·H2O}n(1),{[La-(tapipa)(H2O)4(OH)]·3 H2O}n(2),[Co(tapipa)(1,4-bbib)]n(3)(tapipa = 5-(3-(tetrazo-5-yl)phenyl)isophthalic acid, 4,4′-bibp = ... Three novel complexes, namely {[La(tapipa)(4,4′-bibp)·(H2O)2]·H2O}n(1),{[La-(tapipa)(H2O)4(OH)]·3 H2O}n(2),[Co(tapipa)(1,4-bbib)]n(3)(tapipa = 5-(3-(tetrazo-5-yl)phenyl)isophthalic acid, 4,4′-bibp = 4,4′-bis(imidazolyl)biphenyl, and 1,4-bbib = 1,4-bis(benzimidazo-1-ly)benzene) have been synthesized under solvothermal conditions and characterized by PXRD, IR,TGA, and so on. Complex 1 presents a 2 D layer structure, which is finally packed into a 3 D supramolecular structure by means of hydrogen bonds;complexes 2 and 3 exhibit 1 D chains and 2 D wavy-type structures, respectively, which are expanded into 3 D supramolecular structures through hydrogen bonds and π-π interactions. Furthermore, the luminescence properties of complex 1 and the variable-temperature magnetic susceptibilities of 3 were investigated. Complex 1 has highly selective sensing for Fe^3+ and Cr2O7^2- ions. 展开更多
关键词 5-(3-(tetrazo-5-yl)phenyl)isophthalic ACID LUMINESCENT PROPERTIES magnetic PROPERTIES
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A Simple Strategy for Fabrication of In(OH)3/ZnIn2S4 Heterostructure as Visible-light-driven Photocatalyst for Selective Oxidation 预览
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作者 陈志鑫 结构化学 SCIE CAS CSCD 2019年第5期825-836,672共13页
The cubic In(OH)3/ZnIn2S4 heterostructures were successfully synthesized via a simple strategy of post-treatment of cubic ZnIn2S4(C-ZIS), and their structures and properties were characterized by X-ray diffraction(XRD... The cubic In(OH)3/ZnIn2S4 heterostructures were successfully synthesized via a simple strategy of post-treatment of cubic ZnIn2S4(C-ZIS), and their structures and properties were characterized by X-ray diffraction(XRD), UV-vis diffuse reflectance spectra(DRS), field emission scanning electron microscopy(FESEM) and transmission electron microscopy(TEM). According to the results, the tofu-like In(OH)3 semiconductor as a new crystal phase appeared in the matrix of C-ZIS and formed a In(OH)3/ZnIn2S4 heterostructure. Compared with pure C-ZIS, the heterostructure exhibits higher photocatalytic activity towards selective oxidation of benzyl alcohol under visible light. The In(OH)3/ZnIn2S4 heterostructure manifests the best and the highest photocatalytic performance via 18 h post-treatment, which achieved nearly 100% selectivity, 35.5%conversion and 34.5% yield. This is ascribed to the formation of In(OH)3/ZnIn2S4 heterostructure to promote the transfer of photogenerated electron-hole pairs and thus efficiently inhibits their recombination, leading to the longer lifetime of photo-induced carriers. Furthermore, a possible photocatalytic mechanism is proposed and discussed. Our current work could boost more interest in researching the semiconductor materials of ternary chalcogenides and enlarging the applications based on cubic ZnIn2S4 heterostructure as visible-light-driven photocatalyst. 展开更多
关键词 ZnIn2S4 In(OH)3 HETEROSTRUCTURE POST-TREATMENT SELECTIVE OXIDATION
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Structure and Luminescent Property of a Tetrahedral Silver(Ⅰ) Cluster Complex Based on Phosphor and Sulphur Mixed-ligand System 预览
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作者 王跃 石永芳 +3 位作者 李晓波 邹晓川 何昱岑 王霞 结构化学 SCIE CAS CSCD 2019年第7期1216-1222,共7页
A tetrahedral silver(I) cluster complex {Ag4[HC(PPh2)3](S2PPh2)3}ClO4(1,HC(PPh2)3 = 1,1,1-tris(triphenylphosphino)methane, S2PPh2 = diphenyldithiophosphinate) was synthesized by assembling silver ion with phosphor and... A tetrahedral silver(I) cluster complex {Ag4[HC(PPh2)3](S2PPh2)3}ClO4(1,HC(PPh2)3 = 1,1,1-tris(triphenylphosphino)methane, S2PPh2 = diphenyldithiophosphinate) was synthesized by assembling silver ion with phosphor and sulphur mixed-ligand system. The complex was characterized by single-crystal X-ray crystallography, high-resolution mass spectroscopy and thermal analysis. In the crystal structure, an inverted tetrahedron was constructed from Ag4 metal skeleton. The Ag4 cage was stabilized by three diphenyldithiophosphinate ligands and one 1,1,1-tris(triphenylphosphino)methane ligand. 1 exhibits luminescent properties in solid state. A bright yellow-green emission centered at 533 nm has been observed in solid state. Large Stokes' shifts with long range of emissive lifetime indicate that the emission likely originates from a triplet state parentage. 展开更多
关键词 SILVER cluster crystal STRUCTURE luminescent property MIXED-LIGAND
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Application and Mechanism of ZnSb2O4 and ZnSb2O6 in the Photocatalytic Degradation of Tetracycline Hydrochloride 预览
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作者 薛珲 廖淑娴 +3 位作者 陈艺兰 钱庆荣 刘欣萍 陈庆华 结构化学 SCIE CAS CSCD 2019年第5期837-847,672共12页
The photocatalytic performances in the photocatalytic degradation of tetracycline hydrochloride(TC) of ZnSb2O4 and ZnSb2O6 synthesized by hydrothermal method were explored.The effects of synthesis conditions including... The photocatalytic performances in the photocatalytic degradation of tetracycline hydrochloride(TC) of ZnSb2O4 and ZnSb2O6 synthesized by hydrothermal method were explored.The effects of synthesis conditions including reaction temperature, reaction time, precursor solution pH, and the amount of hydrazine hydrate on the photocatalytic activity were discussed.The ZnSb2O4 and ZnSb2O6 photocatalysts prepared under optimal conditions exhibited similar photocatalytic activities for the degradation of TC. However, the areal photoctalytic activity of ZnSb2O4 was 12 times higher than that of ZnSb2O6 because of their different electronic and geometric structures. The photocatalytic degradation mechanisms of TC over ZnSb2O4 and ZnSb2O6 were proposed. Our work will facilitate the development of composite oxides consisting of p-block metal ions as new semiconductor photocatalysts. 展开更多
关键词 ZnSb2O4 ZnSb2O6 PHOTOCATALYTIC UV LIGHT TETRACYCLINE HYDROCHLORIDE
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Synthesis, Crystal Structure and Anti-breast Cancer Activity of ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-Methylbenzenesulfonate 预览
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作者 韩浩 张志芳 +1 位作者 张俊飞 张彬 结构化学 SCIE CAS CSCD 2019年第8期1337-1343,共7页
The new heterocycle compound ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate (1), designed using((3R,5S)-5-(2,4-difluorophenyl)-5-iodotetrahydrofur... The new heterocycle compound ((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate (1), designed using((3R,5S)-5-(2,4-difluorophenyl)-5-iodotetrahydrofuran-3-yl)methyl isobutyrate(2) as the start material, was successfully obtained via multiple synthesis route and finally characterized by IR, ~1H NMR, and single-crystal X-ray crystallography. In addition, the in vitro anticancer activities of the newly synthesized complex 1 have been emulated against three human breast cancer cell lines BT474, MCF7 and MB. 展开更多
关键词 HETEROCYCLES X-ray crystallography anticancer ACTIVITY
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A New 3-D Supramolecular Framework Built by Co4-Substituted Sandwiched Phosphotungstates, Organoamines and Co-Complexes: Synthesis, Structure, and Property 预览
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作者 马卫丹 李海楼 杨国昱 结构化学 SCIE CAS CSCD 2019年第9期1585-1592,共8页
A neoteric organic-inorganic hybrid Co-substituted phosphotungstate H6{[Co(en)2(OAc)2]2[Co4(H2 O)2(PW9 O34)2]}·2 H2 en·36 H2 O(1, en = enthylenediamine) has been made under hydrothermal conditions and charac... A neoteric organic-inorganic hybrid Co-substituted phosphotungstate H6{[Co(en)2(OAc)2]2[Co4(H2 O)2(PW9 O34)2]}·2 H2 en·36 H2 O(1, en = enthylenediamine) has been made under hydrothermal conditions and characterized by IR spectrum, thermogravimetric analysis, diffuse-reflectance spectroscopy, powder X-ray diffraction, single-crystal X-ray diffraction and cyclic voltammetry, respectively. Crystal data for 1: monoclinic, P21/c, a = 18.2234(12), b = 15.3696(9), c = 20.1706(17) A, β = 106.563(8)°, V = 5415.1(7) A3, Z = 2, Mr = 6072.30, Dc = 3.724 g/cm3, μ = 20.087 mm-1, F(000) = 5540, R = 0.0585, w R = 0.1543 and S = 1.024. Single-crystal X-ray structure analysis reveals that compound 1 exhibits a 3-D supramolecular framework via H-bonding interactions, in which the discrete Co-complex is modified by two types of organic ligands, en and acetate. In addition, the adsorption experiments demonstrate compound 1 possesses a remarkable capability for scavenging of methylene blue. 展开更多
关键词 POLYOXOMETALATE HYDROTHERMAL SYNTHESIS 3-D SUPRAMOLECULAR framework adsorption properties
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Synthesis, Crystal Structure and Antitumor Activity of 4-(5-(2,6-Difluorophenyl)-1,3,4-oxadiazol-2-ylthio)-2-(trifluoromethyl)thieno[2,3-d]pyrimidine 预览
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作者 宋新建 李晨晨 +2 位作者 王旭梅 孙琦 杨平 结构化学 SCIE CAS CSCD 2019年第8期1344-1348,共5页
The title compound 4-(5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-ylthio)-2-(trifluoromethyl)thieno[2,3-d]pyrimidine(C15H5F5N4OS2, Mr = 416.35) was designed and synthesized as antitumor agent, and its structure was deter... The title compound 4-(5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-ylthio)-2-(trifluoromethyl)thieno[2,3-d]pyrimidine(C15H5F5N4OS2, Mr = 416.35) was designed and synthesized as antitumor agent, and its structure was determined by 1H NMR, 13C NMR, MS, elemental analysis and single-crystal X-ray diffraction. The crystal belongs to monoclinic system, space group P21/c with a = 9.904(2), b = 10.057(2), c = 16.595(3) ?, β = 100.000(3)°, V = 1627.9(6) ?3, Z = 4, F(000) = 832, Dc = 1.699 g/cm3, μ = 0.395 mm-1, R = 0.0468 and wR = 0.1255 for 4726 independent reflections(Rint = 0.0336) and 2847 observed ones(I > 2σ(I)). The in vitro antitumor activity of the title compound was preliminarily evaluated by the standard MTT assay. 展开更多
关键词 thieno[2 3-d]pyrimidine 1 3 4-OXADIAZOLE FLUORINATED compound crystal structure ANTITUMOR activity
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Two Zinc Complexes Supported by in situ Formed Etheric Ligands 预览
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作者 杨乐 刘勇路 +3 位作者 张恩生 陈小莉 高楼军 杨华 结构化学 SCIE CAS CSCD 2019年第9期1593-1599,共7页
Two zinc complexes, [Zn(MPIP)Cl2](1) and [Zn(EPIP)Cl2](2), where MPIP = 1-(methoxymethyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridine and EPIP = 1-(ethoxymethyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridine, were synthesized und... Two zinc complexes, [Zn(MPIP)Cl2](1) and [Zn(EPIP)Cl2](2), where MPIP = 1-(methoxymethyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridine and EPIP = 1-(ethoxymethyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridine, were synthesized under solvothermal conditions. The etheric ligand MPIP was formed in situ via metal ligand reaction between(3-(pyridin-2-yl)imidazo[1,5-a]pyridin-1-yl)methanol(HPIPM) and methanol solvent. Similarly, the ligand EPIP was generated in situ from the reaction of HPIPM with ethanol solvent. The structures of 1 and 2 were characterized by X-ray single-crystal diffraction analysis. They are four-coordinated mononuclear complexes, and the ZnII ion of 1 and 2 displays distorted tetrahedral geometry. The photoluminescent properties of 1 and 2 were investigated. Strong emissions were observed for both 1 and 2, which were ascribed as the intraligand(π-π*) fluorescent transitions. This paper provides a simple and efficient method for the synthesis of etheric compounds. 展开更多
关键词 zinc complexes in SITU REACTIONS etheric LIGANDS PHOTOLUMINESCENT property
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Synthesis, Crystal Structure and DNA-Binding Property of a Mn(Ⅱ) Complex Based on 5-(Tri-fluoromethyl)pyridine-2-carboxylic Acid 预览
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作者 王嘉恺 李冰 +2 位作者 武焕平 田晓燕 麻晓霞 结构化学 SCIE CAS CSCD 2019年第8期1349-1355,共7页
A new complex Mn(Htpc)2(H2O)2(1, Htpc = 5-(trifluoromethyl)pyridine-2-carboxylic acid) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. 1 belongs to triclinic ... A new complex Mn(Htpc)2(H2O)2(1, Htpc = 5-(trifluoromethyl)pyridine-2-carboxylic acid) has been synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. 1 belongs to triclinic system, space group P■ with a = 5.0885(10), b = 6.5574(13), c = 14.016(3) ?, β = 90.67(3)o, V = 436.34(17) ?3, Z = 1, Dc = 1.793 g·cm-3, μ = 0.855 mm-1, Mr = 471.18, F(000) = 235, the final R = 0.0454 and wR = 0.1134 for 1998 observed reflections with I > 2σ(I). The Mn(Ⅱ) ion is coordinated by two N and two O atoms from two Htpc as well as two O atoms from two coordinated water molecules, forming a 0D motif with distorted octahedral coordinate geometry. The adjacent 0D units are linked into 1D chains through hydrogen bond O(1W)–H(1 WB)···O(2), and via the O(1 W)–H(1 WA)···O(1) hydrogen bond the neighboring 1D chains are connected into a 2D supramolecular layer. Moreover, the interactions between the ligand and its complex with CT-DNA were studied by EtBr fluorescence probe, which suggested that these compounds bind to CT-DNA through an intercalation mode. The binding constants were 0.41 and 0.64 for Htpc and complex 1, respectively. It indicates that the interaction between complex 1 and CT-DNA is stronger than Htpc. 展开更多
关键词 5-(trifluoromethyl)pyridine-2-carboxylic acid crystal structure DNA fluorescence SPECTRA
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Synthesis, Crystal Structure, Herbicidal Activity and Docking Study of 4-Cyclopropyl-3-((4-fluorobenzyl)sulfonyl)-5-methyl-4H-1,2,4-triazole 预览
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作者 闵莉静 乔丽 +2 位作者 王翰 韩亮 刘幸海 结构化学 SCIE CAS CSCD 2019年第8期1356-1361,共6页
The title compound 4-cyclopropyl-3-((4-fluorobenzyl)sulfonyl) 5-methyl-4 H-1,2,4-triazole(C13H14FN3O2S) was synthesized, and its structure was confirmed by 1H NMR, MS, elemental analysis and X-Ray diffraction. It crys... The title compound 4-cyclopropyl-3-((4-fluorobenzyl)sulfonyl) 5-methyl-4 H-1,2,4-triazole(C13H14FN3O2S) was synthesized, and its structure was confirmed by 1H NMR, MS, elemental analysis and X-Ray diffraction. It crystallizes in monoclinic system, space group P21/c with a = 8.4920(17), b = 14.004(3), c = 11.349(2) ?, β = 102.80(3)°, V = 1316.1(5) ?3, Z = 4, the final R = 0.0344 and wR = 0.0897 for 2049 observed reflections with I > 2σ(I). The preliminary biological test shows that the title compound has good herbicidal activities against Brassica campestris and moderate inhibitory against KARI. The docking was also studied. 展开更多
关键词 SYNTHESIS crystal structure biological activities DOCKING
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Crystal Structures and DNA Binding Properties of 2-Naphthoxyacetic Acid Cu(Ⅱ) Complexes 预览
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作者 刘艳珠 高红岩 +2 位作者 易绣光 李东平 李永绣 结构化学 SCIE CAS CSCD 2019年第8期1362-1369,共8页
Two new copper complexes based on 2-naphthoxyacetic acid ligand, namely [Cu(L)2(CH3CN)]2(1) and [Cu(L)(1,10-phen)2](2), where L = 2-naphthoxyacetic acid and 1,10-phen = 1,10-phenanthroline, were obtained by hydrotherm... Two new copper complexes based on 2-naphthoxyacetic acid ligand, namely [Cu(L)2(CH3CN)]2(1) and [Cu(L)(1,10-phen)2](2), where L = 2-naphthoxyacetic acid and 1,10-phen = 1,10-phenanthroline, were obtained by hydrothermal reaction and characterized by single-crystal X-ray diffraction. The binuclear complex 1 and mononuclear complex 2 belong to space group C2/c and P■, respectively. The binding properties of the two compounds with ct-DNA were investigated by UV-Vis and fluorescence spectra. The two compounds could bind with ct-DNA through interactions. Compound 2 displays stronger binding ability in the reaction with ct-DNA. 展开更多
关键词 2-naphthoxyacetic acid 1 10-PHENANTHROLINE DNA BINDING spectrum
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Single and Double Chainlike Manganese Coordination Polymers of Linear Ligands: Synthesis, Structure and Magnetism 预览
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作者 张漫波 张娜 胡瑞祥 结构化学 SCIE CAS CSCD 2019年第2期301-307,169共8页
Two single and double chain manganese coordination polymers {[Mn(L1 )(H2O)2]NO3}n (1) and [Mn(L2)2(H2O)]n (2)(HL1 = 2,2′:6 ′,2″-terpyridine-4′-carboxylic acid, HL2 = 4 -(4-′carboxypheny 1)-2,2′:6′2″-terpyridin... Two single and double chain manganese coordination polymers {[Mn(L1 )(H2O)2]NO3}n (1) and [Mn(L2)2(H2O)]n (2)(HL1 = 2,2′:6 ′,2″-terpyridine-4′-carboxylic acid, HL2 = 4 -(4-′carboxypheny 1)-2,2′:6′2″-terpyridine) have been synthesized hydrothermally,and characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction.Compound 1 crystallizes in monoclinic space group P2/c, while 2 crystallizes in triclinic, space group 1. Crystal data for 1: Ci6H14MnN4O7, Mr = 429.25, a = 10.684(2), b = 9.338(1), c =9.896(2) A,β= 113.89(3)°, K= 902.7(3) A^3, Z = 2, T= 153(2) K, Dc=1.579 g/cm^3,μ= 0.780mm^-1, F(000)= 438, R = 0.1084, wR = 0.3507. and GOF = 1.069;For 2: C44H30M11N6O5, Mr =777.68,a=11.255(2), b= 11.554(2), c= 15.417(3) A, a = 107.28(3),β=101.07(3),γ= 107.23(3)°,V = 1740.2(6) A^3, Z = 2, T = 293(2) K, Dc = 1.484 g/cm^3,μ= 0.440mm^-1, F(000)= 802, R =0.0471, wR = 0.1050, and GOF = 0.94& In both compounds, the central Mn(ll) ions adopt the same distorted pentag on al-bipyramid geometry [M11N3O4] with different secondary structure units.LI ligand adopts the μ2-1k^3N,N′,N ″:2k^2O′Omode to coordinate with mononuclear manganese to build a single chainlike compound 1, while L2 employs μ3-1k^3N,N′,N ″:2k^2O′:3k^1O and 1k^1O modes to link dimeric Mn2O2 to exhibit a double chainlike 2. Both compounds display weak antiferromagnetic coupling interactions. 展开更多
关键词 MANGANESE COMPOUNDS TERPYRIDINE derivants crystal STRUCTURE magnetic property
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Metal-induced Coordination Networks Using a C2v-based Hexacarboxylate Ligand:Syntheses, Structures and Properties 预览
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作者 万秀艳 张广录 +2 位作者 陈莲 江飞龙 洪茂椿 结构化学 SCIE CAS CSCD 2019年第8期1370-1379,共10页
Metal-organic frameworks(MOFs), consisting of metal, anion and organic ligands, have attracted much attention. The structure of MOFs is affected by various factors. To explore the effects of metal ions, we synthesized... Metal-organic frameworks(MOFs), consisting of metal, anion and organic ligands, have attracted much attention. The structure of MOFs is affected by various factors. To explore the effects of metal ions, we synthesized six complexes, namely {[Me2NH2][Zn4(H2L)(L)]·2 H2O·2 DMF}n(1), {[Me2NH2]2[Cd2(L)]·2H2O}n(2), {[Me2NH2]2[Ca3(L)(μ-OH)2(DMF)2]·2H2O}n(3) and {[Me2NH2]2[M2(L)(μ-OH)]· H2O·2DMF}n(M = Co, 4;Ni, 5;Mn, 6), from a C2v-based hexacarboxylate ligand([1,1’;4’,1’’]terphenyl-3,5,2’,5’,3’’,5’’-hexacarboxylic acid(H6L)) using metal-induced strategy. These MOFs were thoroughly characterized by single-crystal and X-ray diffraction, elemental analysis, Fourier-transform infrared spectra(FTIR) and photoluminescence. 展开更多
关键词 metal-induced SYNTHESES structures PHOTOLUMINESCENCE properties
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