Syntheses,Crystal Structures,DFT Calculation and Optical Properties of a Schiff Base and Its Dinuclear Mercury(Ⅱ)Complex

A pyridine-contained Schiff base ligand L（L =（pyridine-2-vinyl）hydrazine） has been synthesized and fully characterized. By self-assembly of the ligand with HgI2, a binuclear complex Hg2I4L（C） was obtained. The structures of L and C were analyzed through single-crystal X-ray diffraction. L crystallizes in monoclinic, space group P21/n with a=11.286（5）, b=3.981（5）, c=23.865（5） , β=100.043（5）°, V=1056（1） 3, Z=4, Dc=1.323 g/m3, F（000）=440, Μr=210.24, μ=0.084 mm（-1）, the final R=0.0928 and w R=0.2867 for 6955 observed reflections with I ＆gt; 2（I）. The complex is of monoclinic system, space group P21/n with a=8.706（5）, b=17.468（5）, c=14.675（5） , β=93.922（5）°, V=2227（2） 3, Z=4, Dc=3.338 g/m3, F（000）=1928, Μr=1119.02, μ=19.321 mm（-1）, the final R=0.0366 and w R=0.1276 for 3920 observed reflections with I ＆gt; 2（I）. The structural analysis revealed that the molecule of L possesses a well planar structure. However, in the complex, the coordinated ligand distorts greatly. The absorption spectra of L and the complex in ethanol were experimentally and theoretically studied. The result indicates that the complex exhibits different absorption spectrum compared with the free ligand.

Metal-induced Coordination Networks Using a C2v-based Hexacarboxylate Ligand:Syntheses, Structures and Properties

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.

Syntheses, Crystal Structures and Characterization of Two New Cadmium(II) Arsonates

Two cadmium arsonate coordination polymers, Cd（HL1）2 （1, H2L1 = 4-aminophenylarsonatic acid） and Cd（H2L2）2·2H2O （2, H3L2 = 2-（4-arsonphenylamino）acetic acid）, have been synthesized and characterized by IR and single-crystal X-ray diffraction. Crystal data for 1： triclinic, space group P1 with a = 5.7559（12）, b = 7.0903（14）, c = 8.9925（18）, α = 89.04（3）, β = 80.79（3）, γ = 85.09（3）o, Dc = 2.496 g·cm-3, μ = 6.095 mm-1, F（000） = 260, Z = 1, the final R = 0.0574 and wR = 0.1376 for 1489 observed reflections with I 〉 2σ（I）. And those for 2： monoclinic, space group P21/c with a = 4.7595（10）, b = 9.925（2）, c = 22.609（5）, β = 91.81（3）°, Dc = 2.167 g·cm-3, μ = 4.168 mm-1, F（000） = 684, Z = 2, the final R = 0.0335 and wR = 0.0815 for 2340 observed reflections with I 〉 2σ（I）. The structure of 1 shows a two-dimensional layer consisting of inorganic chains of {CdN2（AsO3）2} along the a axis linking with the phenyl groups. These layers are further linked through strong interlayer hydrogen bonding interaction to form a three-dimensional hydrogen bond supramolecular architecture. Compound 2 has inorganic chains of {CdO2（AsO3）2} similar to 1, which connect with four adjacent inorganic chains forming a three-dimensional framework.

Mannich Base Derivatives of 1,2-Benzisothiazolin-3-one: Syntheses, Crystal Structures and Bioactivities

Twelve Mannich base derivatives of 1,2-benzisothiazolin-3-one were synthesized by the reaction of 1,2-benzisothiazol-3（2H）-one （BIT） with different amines and formaldehyde. All the compounds were characterized by elemental analysis, IR spectroscopy, MS and 1H NMR. The crystal structure for 2,2＇-methylenebis（benzo[d]isothiazol-3（2H）-one） （3） has been determined by X-ray single-crystal structure analysis. Compound 3 （C15HIoN202S2） crystallizes in the monoclinic system, space group C2/c with a = 25.052（8）, b = 4.510（1）, c = 11.948（4） A, β = 100.992（4）°, V= 1325.2（7） A3, Mr = 314.37, Dc = 1.576 Mg.m-3, p = 0.25 mm-1, F（000） = 648, Z = 4, R = 0.034 and wR = 0.087. The preliminary biological test indicated that the compounds （2b, 2c） showed growth inhibitory activity against the gram-positive and gram-negative bacteria.

Three Nickel/maleonitriledithiolate Complexes Accompanied by Different Organic Molecules: Syntheses, Crystal Structures and Properties

Three complexes [AMP][Ni（mnt）2]·CH3CN （1, AMP = 1-（9-anthrylmethyl）pyri- dinium）, [DPI]2[Ni（nmt）2]I （2, DPI = diphenyliodonium） and [DD][Ni（mnt）2]2·2H2O （3, DD = dimethylenediamine） have been prepared and characterized by elemental analyses and IR spectroscopy. X-ray diffraction studies show that three complexes crystallize in the same triclinic space group Pi, and anionic accumulations are formed in a column shape. The results show that different counter-cations could induce versatile anionic stacks. The structures of three complexes exhibit rich hydrogen bonding interactions. In addition, UV-VIS properties of them are also investigated.

Syntheses and Crystal Structures of Four Cobalt Supramolecular Architectures with Hmtyaa Ligand

Four cobalt supramolecular architectures with Hmtyaa（2-（5-methyl-1,3,4-thiadiazol-2-ylthio）acetic acid） ligand have been synthesized.[Co（mtyaa）2（H2O）4]·4（H2O）（1）：triclinic,space group P1 with a = 6.7537（18）,b = 8.591（2）,c = 10.615（3） ,α = 96.495（4）,β = 99.955（5）,γ = 103.615（5）°,V = 581.9（3） 3,Z = 1,Mr = 581.52,Dc = 1.659 g/m3,μ = 1.158 mm-1,F（000） = 301,Rint = 0.0557,R = 0.0377 and wR = 0.1056 for 1854 observed reflections with Ⅰ 〉 2σ（Ⅰ）;{[Co（4,4＇-bipy）（H2O）4]·2（mtyaa）·2（H2O）}n（2）：triclinic,space group P1 with a = 7.669（2）,b = 8.840（3）,c = 11.521（4） ,α = 79.912（5）,β = 73.954（5）,γ = 86.612（6）°,V = 738.9（4） 3,Z = 1,Mr = 701.67,Dc = 1.577 g/m3,μ = 0.924 mm-1,F（000） = 363,Rint = 0.0636,R = 0.0498 and wR = 0.1311 for 2155 observed reflections with Ⅰ 〉 2σ（Ⅰ）;{[Co（4,4＇-bipy）（mtyaa）（H2O）3]（mtyaa）·2（H2O）}（3）：monoclinic,space group Pc with a = 7.7832（17）,b = 11.527（3）,c = 31.483（7） ,β = 91.952（4）°,V = 2822.9（11） 3,Z = 4,Mr = 683.65,Dc = 1.609 g/m3,μ = 0.963 mm-1,F（000） = 1412,Rint = 0.0758,R = 0.0609 and wR = 0.1095 for 5841 observed reflections with I 〉 2σ（I）;{[Co（bpe）（mtyaa）2（H2O）2]}n（4）：monoclinic,space group C2/c with a = 19.290（11）,b = 12.027（7）,c = 14.865（8） ,β = 125.648（8）°,V = 2802（3）3,Z = 4,Mr = 657.66,Dc = 1.559 g/m3,μ = 0.959 mm-1,F（000） = 1356,Rint = 0.0456,R = 0.0332 and wR = 0.0985 for 2299 observed reflections with Ⅰ 〉 2σ（Ⅰ）.

STUDIES ON THE SYNTHESES AND BACTERICIDAL ACTIVITIES OF ACYLAMINOETHYL GLYCINES AND OF THEIR CYCLO-CONDENSATION PRODUCTS

Two series of new compounds:the aliphatic acylaminoethyl glycines (Ⅰ) and their cyclo-condensation products-allphatic acylaminoethyl plperazlnones (Ⅱ) were synthesized.The results of bactericidal and bacteriostatic tests show that the two series of compounds are good bactericldal agents.

Syntheses,Structures,and Properties of Two New Coordination Polymers Based on Tetracarboxylate and 2,2′-Bipyridine Mixed Ligands

Two new coordination polymers {[Zn2L1（2,2＇-bpy）2（H2O）2]·4H2O}n（1） and [Zn2L2（2,2＇-bpy）2（H2O）2]n（2）（H4L1 = terphenyl-2,2＇,4,4＇-tetracarboxylic acid, H4L2 = quarterphenyl-2,2＇,4,4＇-tetracarboxylic acid, and 2,2＇-bpy = 2,2＇-bipyridine） have been synthesized and characterized by elemental analysis, IR and X-ray single-crystal diffraction studies. Complex 1 displays 2D wavelike networks, which are further joined together through O–H···O hydrogen bonds to give a 3D supramolecular network. Complex 2 exhibits 1D ladder-like chains, and they are further joined together by π-π stacking and O–H···O hydrogen bonding interactions to form a 3D supramolecular network. The results indicate that the backbone of carboxylate ligands has significant effects on the formation and structure of the resulting functional coordination polymers. Additionally, thermal stability and photoluminescent properties of 1 and 2 are also investigated in detail.

SYNTHESES AND SPECTROSCOPIC PROPERTIES OF PORPHYRIN-PHTHALOCYANINE MITH FLEXIBLE POLYATONIC CHAINS

The syntheses of porphyrin-phthalocyanine heterodimers with flexible polyatomic chains especially designed for the studies of intramolecular photoinduced processes are presented along with the effect of mutual orientation of the chromophore subunits on intramolecular energy transfer efficiency.

SYNTHESES OF Ph AND TEMPERATURE－SENSITIVE HYDROGELS AND THEIR APPLICATIONS IN CONTROLLED RELEASE OF BIOMACROMOLECULES

A series of pH- and temperature-sensitive hydrogels were prepared These gels do not swell at 37℃ and pH 1.4 but swell at 37℃ and pH 7 4.When papain was loaded in these gels. it can be released at 37℃ and pH 7 4in a high percentage without any loss of activity.

Syntheses,challenges and modifications of single-crystal cathodes for lithium-ion battery

Single-crystal cathodes(SCCs)are promising substitute materials for polycrystal cathodes(PCCs)in lithium-ion batteries(LIBs),because of their unique ordered structure,excellent cycling stability and high safety performance.Cathode materials with layered(LiCoO_(2),LiNi_xCo_yMnzO_(2),LiNi_xCo_yAl_(2)O_(2))and spinel structure(LiMn_(2)O_(4),LiNi_(0.5)Mn_(1.5)O_(4))show a relatively stable electrochemical performance,but still lack of sufficient attention in research field.In this review,we begin with the definition,structural features and electrochemical advantages of SCCs.Common SCCs synthesis methods and the thermodynamic growth mechanism of SCCs with oriented facet exposure are summarized in the following part.Then we introduce the problems and challenges of SCCs faced and the corresponding modification strategies.Finally,the industrialization progress of SCCs is brifly outlined.We intend to tease out the difficulties and advances of SCCs to provide insights for future development of high-performance SCCs for practical LIBs.

The Syntheses,Characterization and Crystal Structure of Extraction Complexes of Rare Earths

The syntheses,characterization and crystal structure of rare earth coordination compounds of five typical extraction systems commonly used in the separation technology were reported.They are:(1)carboxylic acid system,(2)organophosphorous acid system,(3)quarternary ammonium salt system,(4)neutral organophosphonate system and(5)synergistic system.

Syntheses of novel series benzo [1,5] oxazepin-4-one-based compounds from 1,5-difluoro-2,4-dinitrobenzene

A novel benzo [ 1,5] oxazepin-4-one skeleton compound and its four derivatives were synthesized effectively from 1,5-difluoro- 2,4-dinitrobenzene （DFDNB） under mild conditions. In the process, four intermediates were synthesized by substitutions of the two fluorine atoms and reductions of the meta-dinitro groups in DFDNB respectively. The results showed that the key for synthesizing the intermediates was the substitution of one of the two fluorine atoms in DFDNB by 3-hydroxy butyric acid ethyl ester first, then the other fluorine atom by morpholine, and then the reduction of the meta-dinitro groups in the substitute by HCOONH4 with Pd/C. The products were purified with silica gel column chromatography, and confirmed by HPLC, LC-MS and 1H NMR. They should contribute to construct the molecular libraries for therapeutic applications.

Syntheses, Structures and Properties of a Series of Polymeric Oxohaloplumbates

A series of polymeric oxyhaloplumbates[Pb3 I2(μ4-O)L]n(1,H2L=ethylene glycol)and[Pb8 M(μ3-O)2 X8(XH)L3]n{X=Br,M=Mn(2 a),Co(2 b);X=I,M=Mn(2 c),Co(2 d)}have been synthesized under solvothermal conditions and structurally characterized.1 consists of an infinite[Pb3 I2(μ4-O)L]n ribbon built up through the linkage of[PbI2]units and[Pb2(μ4-O)L]n chains to give a new type of 1-D oxoiodoplumbate[Pb3 I2(μ4-O)L]n decorated by deprotonated ethylene glycols.2 a^d are isostructural and exhibit 3-D heterometallic frameworks constructed by the combination of infinite[Pb2 X9]chains and heptanuclear heterometallic[Pb6 M(μ3-O)2 L3]clusters.The present oxohaloplumbates exhibit wide-band-gap semiconducting properties with absorption band edges in the range of 2.21~2.71 eV.The magnetic properties of 2 a^d have also been studied.

Syntheses of Ferrocenyl Schiff Bases Using Molecular Sieves and AlCl_3 as Catalysts

In order to study the donor ability of ferrocenylimines as directing ortho metalation group（DMG） to lithium alkylide to prepare planar chiral ferrocene, a series of ferrocenyl schiff bases were synthesized by new methods using molecular sieves（0.4nm） and AlCl3 as catalysts. The reaction periods were reduced using these two catalysts in contrast with Al2O3, which was a traditional method used in the literature. In addition, as an important feature of these schiff bases, we found that they were unstable as oils in air or when filtrated through silica gel, but were stable as solids. The structures of the new compounds were confirmed by IR, ^1H NMR and HRMS.

Syntheses of (3-Benzyl-4-Aroyl-1,2,4-Triazole-5-yl)[5-(3,4,5-Trimethoxylphenyl)-1,3,4-Oxadizole-2-yl] Sulfides

Twelve new (3-benzyl-4-aroyl-1,2,4-triazole-5-yl)[5-(3,4,5-trimethoxyphenyl)-1,3,4- oxadiazole-2-yl]sulfides(2) have been synthesized from the nucleophilic displacements of 3-benzyl-4- trimethoxyphenyl)-1,3,4-oxadiazole(1). Compounds(2) were screened for their antibacterial activity against E.Coli at 0.01%. The results show that some compounds(2) have strong inhibiting effects

SYNTHESES AND ANTIMICROBIAL ACTIVITY OF NOVEL POLYURETHANE IONOMERS

This study is concerned with the removal of Staph aureus from water by polyurethaneionomers. All the samples are quaternary ammonium salts which possess a positive chargeon the surface. The ratio of the soft segment to diisocyanate and chain extender is 1:2:1and the ionization degree is 100%. The ionomers strongly capture microbial cells on theirsurfaces in a living state and the hydrophilicity of polymer matrix used in the studyenhanced the affinity of the polymer for bacterial cells. The adhesion of the microorganismto polymer was due mainly to electrostatic interaction between them. The calculation ofthe viable cell count showed that D value for Staph.aureus is not proportional to the nitro-gen concentration. The microorganism capture ability of pyridinium-containing polymer isgreater than that of piperazine based samples.

Syntheses and Structure Determination of Two Copper Compounds with 4,4'-Sulfonyldibenzoilate Ligands

The two title compounds [Cu（sdba）（py）2（H2O）]n·2n（py） 1 and [Cu（sdba）（phen）（H2O）]n 2 （H2sdba = 4,4′-sulfonyldibenzoic acid, py = pyridine, phen = 1,10-phenanthroline） have been synthesized and characterized by single-crystal structure determination, IR and TG analyses. Compound 1 crystallizes in orthorhombic, space group Pbcm with a = 5.9833（12）, b = 22.333（5）, c = 24.571（5）A, V = 3283.3（12） A^3, Z = 4, C34H30N4OTSCu, Mr = 702.22, Dc = 1.388 g/cm^3, F（000） = 1396,μ（MoKa） = 0.780 mm^-1, the final R = 0.0599 and wR = 0.1767 for 3416 observed reflections with I 〉 2σ（I）. Compound 2 crystallizes in monoclinic, space group C2/c with a = 22.9549（4）, b = 12.2443（3）, c = 17.8687（4）A, β = 110.873（1）°, V = 4692.69（18）A^3, Z = 8, C26H18N2O7SCu, Mr = 566.02, Dc = 1.602 g/cm^3, F（000） = 2312,μ（MoKa） = 1.078 mm^-1, the final R =0.0697 and wR = 0.1330 for 3452 observed reflections with I 〉 2σ（I）. In both structures, the Cu^Ⅱ metal centers adopt five-coordination in slightly distorted tetragonal pyramidal geometries, while the second N-donor ligands bond or chelate to Cun ions as the terminal moiety. The weak interactions extend the two structures into high-dimensional supramolecular coordination-polymers.

Syntheses and Crystal Structures of Some Aryloxy and Alkoxy Substituted Phthalonitriles

Phthalonitriles substituted with aryloxy and alkoxy groups have been synthesized and characterized by elemental analyses, IR, mass spectra and IH NMR spectroscopy. And four of such crystal structures have also been determined. In the crystal structures, the major intermolecular interactions between the neighboring molecules are the hydrogen bonds as C-N…H and C=O…H that lead to similar networks in the crystal structures.