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1.
A mixed complex [Zn(CF3COO)2(C7H6NS)2] was synthesized based on the reaction of Zn(CF3COO)2 and 2-aminobenzothiazol (C7H6NS) in methanol. The structure of the complex was characterized by elemental analysis, IR, 1H NMR and thermal analysis. The crystal structure of the complex was determined by X-ray single crystal diffraction. The crystal belongs to monoclinic system with space group C2/c, a=3.174 3(9) nm, b=1.010 0(3) nm, c=1.723 1(5) nm, β=118.841(4)°, V=4.839(2) nm3; Dc=1.625 g·cm-3; Z=8; F(000)=2 368; μ=1.266 mm-1. CCDC: 600233.  相似文献   

2.
In ethanol, a new mononuclear nickel(Ⅱ) complex incorporating Schiff base ligands, [NiL2](DMF)4 (HL=2′-(4-fluorobenzylidene)-3,5-dihydroxybenzoylhy drazide) has been synthesized and characterized by IR, UV-Vis, elemental analysis and X-ray crystal structure analysis. The single crystal structure has been determined by single-crystal X-ray diffraction structure analysis. The crystal belongs to monoclinic system, space group P21/c with a=1.617 3(2) nm,b=1.798 5(2) nm, c=0.737 61(10) nm, β=91.953(3)°, V=2.144 3(5) nm3, Z=2, μ=0.526 mm-1, Dc=1.390 g·cm-3, F(000)=940, Rint=0.105 3. In the compound nickel(Ⅱ) atom is four-coordinated with two nitrogen atoms from amide and two oxygen atoms from keto group. The complex has the centrosymmetry and the nickel(Ⅱ) ion is located in the center. CCDC: 675522.  相似文献   

3.
A new complex bis[(N-salicylidene-N′-aminoethanol)dioxovandium(Ⅴ)], [V(Ⅴ)O2(SALAE)]2, was synthesized by the reaction of salicylaldehyde and aminoethanol with vanadyl sulfate. It was characterized by elemental analysis, IR and X-ray single crystal diffraction analysis. The crystal of the title complex (C18H20N2O8V2, Mr = 494.24) belongs to monoclinic, space group P21/c with the following crystallographic parameters: a= 1.7966(6) nm, b= 0.7587(3) nm, c= 2.1539(7) nm, β = 92.551 (6) °, V= 2.9329 (17) nm3, Z= 6, Dc= 1.679 g·cm-3, μ(Mo) = 1.006 mm-1, F(000) =1512, and final R1 = 0.0563, wR2= 0.1243 for observed reflections 2861(I> 2σ(I)). The complex is a bis(μ-oxo)-bridged V(Ⅴ) schiff base dimer formed by two dioxovandium units, V(Ⅴ) is six-coordinated and forms a distorted octahedral structure. The thermal decomposition for the complex was studied by TG-DTG curves and the apparent activation energy was obtained by the Kissinger formula. CCDC: 211147.  相似文献   

4.
A mononuclear Cobalt(Ⅱ) complex [CoL(H2O)2]n (H2L: 4,4′,6,6′-Tetrabromo-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized by elemental analysis, IR and X-ray diffraction single crystal structure analysis. The crystal of the complex belongs to monoclinic space group P21/c with a=2.516 8(3) nm, b=1.023 43(18) nm, c=0.789 17(14) nm, β=91.375(2)°, V=2.032 1(5) nm3, Z=4, Dc=2.317 Mg·m-3, μ(Mo Kα)=8.747 mm-1, F(000)=1 356, R1=0.049 7, wR2=0.110 4. The crystal structure of [CoL(H2O)2]n indicates that the complex consists of one cobalt(Ⅱ) atom, one L2- unit and two coordinated water molecules, and the coordination number of the cobalt(Ⅱ) atom is six. One-dimensional chain supramolecular structure is formed by intermolecular hydrogen bonds and π-π stacking of neighboring benzene rings. CCDC: 652649.  相似文献   

5.
Using the ligand 4-sulfonyl-2,6-naphthalenedicarboxylate (SNDC), a coordination compound [Co(H2O)6]2[Co(SNDC)2(H2O)4]·4H2O(1) was synthesized and characterized by elemental analysis, thermal analysis, IR and single crystal X-ray diffraction structure analysis. The complex crystallizes in the triclinic P1 space group. The crystallographic data are: a=0.722 4(3) nm, b=1.181 2(4) nm, c=1.353 4(5) nm, V=1.039 47(7) nm3, Z=1, Dc=1.795 g·cm-3, R1=0.055 8, wR2=0.148 7. In the complex, the cobalt(Ⅱ) mononuclear anion ([Co(SNDC)2(H2O)4]4-) adopts the six-coordinated octahedral geometry furnished by two carboxylate oxygen atoms from the SNDC ligands and four water oxygen atoms. The cobalt(Ⅱ) mononuclear anions are self-assembled into two-dimensional sheets through hydrogen bonding between coordinated water molecules and carboxylate oxygens and π-π stacking of the aromatic naphthalene moieties. The [Co(H2O)6]2+ cations are intercalated between the layers through additional hydrogen bonds involving coordinated water molecules and sulfonate/carboxylate oxygen atoms. CCDC: 694556.  相似文献   

6.
The coordination polymer [Ca(L)2·(CH3OH)2]n (HL=N-phenylanthranilic acid) (1) was synthesized by the reaction of calcium perchlorate with N-phenylanthranilic acid in the CH3OH/H2O. It was characterized by elemental analysis, IR, thermal analysis and X-ray single crystal structure analysis. The crystal of the title complex [Ca(L)2·(CH3OH)2]n belongs to triclinic, space group P1 with a=0.751 5(3) nm, b=1.079 6(4) nm, c=1.629 5(6) nm, α=83.547(5)°, β=89.001(6)°, γ=72.257(5)°, V=1.251 0(8) nm3, Z=2, Dc=1.403 Mg·m-3, F(000)=556, and final R1=0.066 8, wR2=0.140 4. The complex comprises a seven-coordinated calcium(Ⅱ) center, with a O7 distorted pengonal bipyramidal coordination environment. Adjacent Ca(Ⅱ) ions are bridged by N-phenylanthranilicate groups, resulting in a 1D chain structure. The adjacent Ca…Ca distances are 0.382 8 nm and 0.384 6 nm. Furthermore, the molecules are connected by hydrogen bonds to form two dimensional layered structure. CCDC: 652445.  相似文献   

7.
The title complex was synthesized by reaction of taurine salicylic schiff base(TSSB), O-phenanthroline(phen) and cupric acetate in water-ethanol solution. The crystal structure was determined by X-ray diffraction method and the chemical formula weight of the complex is 498.00. The crystal structure of the title complex belongs to orthorhombic system with space group Pbcn and cell parameters: a=3.107 2(4) nm, b=1.289 09(18) nm, c= 1.034 78(14) nm; and V=4.144 7(10) nm3, Z=8, Dc=1.596 g·cm-3, μ=1.197 mm-1, F(000)=2 048. The compound is an one-dimensional chain complex of infinite length which are connected with hydrogen bonds. The Cu(Ⅱ) was coordinated by two oxygen atoms and three nitrogen while the o atoms of Ac- groups did not participate in the coordination. The Cu(Ⅱ) formed a distorted tetragonal pyramid and the capacities of coordination to Cu(Ⅱ) of atoms was discussed. Besides, the TG-IR of the complex was analyzed. The kinetics of the thermal decomposition reaction of the complex was studied under a non isothermal condition by TG-IR. TG and DTG curves indicate that the complex decomposed in three stages: (?) The kinetic parameters were obtained from the analysis of TG,DTG cures by OZAWA-Flynn-Wall method, and the activation energy and the value of A of the three stages are 74.98 kJ·mol-1, 286.65 kJ·mol-1, 87.55 kJ·mol-1; 9.66×108 s-1,1.82×1028 s-1, 3.09×103s-1, respectively.  相似文献   

8.
配合物[Mn(bipy)3](ClO4)2的晶体结构和热分析研究   总被引:5,自引:0,他引:5       下载免费PDF全文
The complex [Mn(bipy)3]·(ClO4)2 was synthesied and characterized by X-ray diffraction. X-ray diffraction result for the single crystal showed that the crystal belongs to triclinic, space group P1, a=0.8123(2),b=1.1024(2), c=1.8646(4)nm,α=102.30(3)°,β=91.00(3)°,γ=99.69(3)°,V=1.6056(6)nm3,Z=2,Dc=1.494g·cm-3. The thermal decomposition of [Mn(bipy)3](ClO4)2 occurred in a three steps pattern. The reaction mechanism of the first step decomposition was deduced as n(1-α)[-ln(1-α)](n-1)/n with the activation energy of 130kJ·mol-1.  相似文献   

9.
A ligand cinnamaldehyde salicylhydrazone(C16H14N2O2, HL) and its Ni(Ⅱ) complex, [NiL2(DMF)2]·(DMF)2 have been synthesized and its ingredients, structure and Electrochemical Properties were characterized by the element analysis, IR spectrum, X-ray single crystal diffraction structural analysis and cyclic voltammetry, respectively. The complex crystallizes in monoclinic, space group P21/n with cell parameter a=11.160 1(12) nm, b=18.919(2) nm, c=11.997 4(13) nm, β=115.694(2)°, and V=2 282.7(4) nm3, Z=2, Dc=1.289 g·cm-3. The crystal structure reveals that the center nickel(Ⅱ) cation is bonded to two ligands and two solvent DMF molecules to form an octahedral coordination geometry. The bioactivity test shows that the Ni(Ⅱ) complex of cinnamaldehyde salicylhydrazone has selective antibacterial property against S. Aureus and B. Subtilis. CCDC: 722241.  相似文献   

10.
A new oxovanadium(Ⅴ) ternary complex, VO(L)(hq) [H2L: N-salicylidene-N′-aminoethanol; hq: 8-hydroxy quinoline], was synthesized by the reaction of salicyaldehyde, aminoethanol and 8-hydroxy quinoline with vanadyl sulfate. It was characterized by elemental analysis, IR and X-ray diffraction analysis. The crystal of the title complex (C18H15N2O4V, Mr=374.26) belongs to monoclinic, space group P21/n with the following crystallographic parameters: a=1.5435(5) nm, b=0.662 0(2) nm, c=1.648 9(6) nm, β=105.043(7)°, V=1.627 3(10) nm3, Z=4, Dc=1.528 g·cm-3, μ(Mo)=0.636 mm-1, F(000)=768, and final R1=0.056 8, wR2=0.106 7 for observed reflections 957 (I>2σ(I)). The complex is six-coordinate in distorted octahedral geometry. The thermal decomposition for the complex was studied by TG-DTG curves and the apparent activation energy was obtained by the Kissinger formula. CCDC: 218497.  相似文献   

11.
Using a recently developed procedure for optimizing parameters for semiempirical methods,1 PM3 has been extended to a total of 28 elements. Average ΔHf errors for the newly parameterized elements are Be: 8.6, Mg: 8.4, Zn: 5.8, Ga: 14.9, Ge: 11.4, As: 8.5, Se: 11.1, Cd: 2.6, In: 11.3, Sn: 9.0, Sb: 13.7, Te: 11.3, Hg: 6.8, Tl: 6.5, Pb: 7.4, and Bi: 10.9 kcal/mol. For some elements the paucity of data has resulted in a method, which, while highly accurate, is likely to be only poorly predictive.  相似文献   

12.
Four analytical correlations based on the use of the corresponding states principle were used to calculate the enthalpy of vapourisation of fluids. Three of these correlations require as inputs the critical temperature and the acentric factor. The fourth requires a molecular Lennard–Jones parameter and the acentric factor. Results for 184 polar and non-polar fluids grouped into 9 families are compared with the values accepted by the Design Institute for Physical Property (DIPPR) project. Recommendations are given for the use of each model and for the choice of the adequate model for each family of fluids.  相似文献   

13.
ICP—AES法测定绿柱石中铍硅铝铁镁钙钛和锰   总被引:1,自引:0,他引:1  
  相似文献   

14.
ICP-AES法测定铝中铁、硅、铜、镓、镁、锌、锰和钛   总被引:9,自引:0,他引:9  
用 50g L氢氧化钠溶液溶解铝样品 ,硝酸 (1 1 )酸化 ,以ICP AES测定其中铁、硅、铜、镓、镁、锌、锰和钛等 8种杂质元素。  相似文献   

15.
猪胰脏中铁钙镁铜铅锌镉锰钴镍的测定   总被引:2,自引:0,他引:2  
采用硝酸-过氧化氢在自动回流消化仪中消化猪胰脏,火焰原子吸收光度法测定铁、钙、镁、铜、锌、铅、镉、锰、钴、镍的含量。,方法简便,快速,结果令人满意,并对猪胰脏食用价值进行了评价。  相似文献   

16.
17.
目的:建立化妆品中铍、镉、铊、铬、砷、碲、钕、铅8种有害元素的测定方法。方法:采用电感耦合等离子体质谱法,样品采用微波消解,以钇、锂、铟、铋为内标作定量分析。结果:各元素和内标元素在一定浓度范围内的质量数比值均与浓度呈良好的线性关系,线性方程的相关系数均大于0.9998,平均回收率为95%~104%,相对标准偏差(RSD)均小于3%。结论:该方法灵敏度高,准确,可为化妆品中上述元素的限量检查提供参考。  相似文献   

18.
The enthalpies of dilution of aqueous solutions of formamide, acetamide, propionamide,N,N-dimethylformamide, and sucrose have been measured from about 0.15 to 2.0 moles-kg –1 at 25.0°C. The results of the enthalpy measurements were used to calculate the pairwise enthalpies of interaction for each compound with itself. The equation of Savage and Wood together with their interaction parameters are used to predict the experimental results. All of the predictions are within the standard deviation of the original correlation of Savage and Wood (±220 J-kg-mole –2 ). Detailed examination of the results shows that specific effects are present but they are less than 220 J-kg-mole –2 . Results on urea and substituted ureas are used to determine interaction coefficients for a urea group with itself and with another CH 2 group. The result,H U,U =–280 andH U,CH 2 =29 J-kg-mole –2 , is an improvement on the previous arbitrary assignment of parameters for urea interactions.  相似文献   

19.
A thin-layer chromatographic method is reported for the separation of aldrin (or chlordane), dieldrin, γ-hexachlorocyclohexane, malathion, ethyl-parathion, and pentachlorophenol from each other. The procedure, however, does not separate aldrin and chlordane from each other although it does separate either pesticide from the other components. The method employs alumina plates with n-hexane:xylene:benzene:toluene:cyclohexane:methyl cyclohexane (50:50:50:50:50:50:) as developing solvent.  相似文献   

20.
Ab initio molecular orbital methods at the CBS-QB3 level of theory have been used to study the structure and gas-phase stability of various tautomers and rotamers of N-hydroxyurea, N-hydroxythiourea, and N-hydroxysilaurea, their anions and protonated forms. The geometries of N-hydroxyurea, N-hydroxythiourea, and N-hydroxysilaurea, their anions and cations were optimized at the Becke3LYP/CBSB7 level of theory. For all compounds studied, the amidic form is computed to be substantially more stable than the iminolic tautomer. N-Hydroxyurea and its thio and sila derivatives are computed to behave as Nacids in the gas phase. These compounds are in gas-phase weak acids with a calculated acidity of about 1425 to 1355 kJ-mol–1. Basicities increase in the order: N-hydroxyurea < N-hydroxythiourea < N-hydroxysilaurea. The most stable protonated structures are represented by several isomers with almost equal stability. Thus, in the N-hydroxyurea, N-hydroxythiourea, and N-hydroxysilaurea, both protonation at the double bonded (C=O, C=S and Si=O) oxygen and sulfur atoms, as well as the protonation at the N(H)OH nitrogen basic center is equally probable. The experimental pK a value (10.6) of N-hydroxyurea and the computed value (9.7) for its monohydrated complex with the specifically hydrogen-bonded water molecule to the ionizable OH group are in a good agreement. The experimental partition coefficient of N-hydroxyurea is best reproduced by the Alog Ps method. The formation of nitroxide radical in the reaction of N-hydroxyurea and its sulfur and silicon substituted derivatives with the phenol radical is an exothermic process. Thus, the \bondN(H)OH moiety of these compounds may quench the structurally related tyrosyl radicals in the active site of ribonucleotide reductase.  相似文献   

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