首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 15 毫秒
1.
The crystal structures of two polymorphs of molybdenyl salicylidene-2-furfuryliminate [MoO2(L1)2] have been solved by X-ray diffraction. Both complexes crystallize in centrosymmetric and non-centrosymmetric space groups (P21/c and Р21, respectively) of monoclinic system and have similar structures and close geometric parameters. The Мо atoms have a distorted octahedral coordination to two terminal oxo ligands in cis-positions to each other and two pairs of the oxygen atoms (cis- to О(oxo)) and the nitrogen atoms (trans- to О(oxo)) of two bidentate chelate ligands (L1).  相似文献   

2.
Structural characteristics and energies of [UO2Cl4(BMIm)n](n–2)+ (n = 1-4) solvation complexes have been studied by the density functional theory (DFT) method in the SVWN5 local functional approximation.  相似文献   

3.
The hydrothermal reaction of a mixture of V2O5, VCl3, 2,5-pyridinedicarboxylic acid and diluted H2SO4 for 68 h at 180°C gives a blue colored solution which yields prismatic blue crystals of IV 2 IV O2(SO4)2(H2O)6] (1) in 32% yield (based on V). Complex 1 was investigated by means of elemental analysis (C, H and S), TGA, FT-IR, manganometric titration, Single Crystal X-ray Diffraction Methods and also comparative antimicrobial activities. Crystal data for the compound: monoclinic space group P21/c and unit cell parameters are a = 7.3850(12) Å, b = 7.3990(7) Å, c = 12.229(2) Å, β = 108.976(12)° and Z = 2. Although structure of 1 as a natural mineral has been previously determined, this work covers new preparation method and full characterization of 1 along with comparison of antibacterial activity between 1 and the commercial vanadium(IV) oxide sulfate hydrate compounds, VOSO4 · xH2O (Riedel-de Haën and Alfa Aesar brand names). 1 was evaluated for the antimicrobial activity against gram-positive, gram-negative bacteria, yeasts and mould compared with the commercial VOSO4 · xH2O compounds. 1 showed weak activity against bacteria Bacillus cereus, Nocardia asteroides and yeast Candida albicans. A good antimicrobial activity was recorded against Cirtobacter freundii (15 mm). There are only a few reproducible well-defined vanadium(IV) starting materials to use for exploring the synthesis of new materials. VCl4, VO(acac)2, VOSO4 · xH2O and [V(IV)OSO4(H2O)4] · SO4 · [H2N(C2H4)2NH2] are common starting materials for such applications. In addition to these compounds, 1 can be used as an oxovanadium precursor.  相似文献   

4.
The syntheses and crystal structures of the layered coordination polymers M(C8H8NO2)2 [M = Mn (1), Co (2), Ni (3) and Zn (4)] are described. These isostructural compounds contain centrosymmetric trans-MN2O4 octahedra as parts of infinite sheets; the ligand bonds to three adjacent metal ions in μ3-N,O,O′ mode from both its carboxylate O atoms and its amine N atom. In each case, weak intra-sheet N–H?O and C–H?O hydrogen bonds may help to consolidate the structure. Crystal data: 1, C16H16MnN2O4, M r = 355.25, monoclinic, P21/c (No. 14), a = 10.6534(2) Å, b = 4.3990(1) Å, c = 15.5733(5) Å, β = 95.1827(10)°, V = 726.85(3) Å3, Z = 2, R(F) = 0.026, wR(F 2) = 0.067. 2, C16H16CoN2O4, M r = 359.24, monoclinic, P21/c (No. 14), a = 10.6131(10) Å, b = 4.3374(4) Å, c = 15.3556(17) Å, β = 95.473(4)°, V = 703.65(12) Å3, Z = 2, R(F) = 0.041, wR(F 2) = 0.091. 3, C16H16N2NiO4, M r = 359.02, monoclinic, P21/c (No. 14), a = 10.6374(4) Å, b = 4.2964(2) Å, c = 15.2827(8) Å, β = 95.9744(14)°, V = 694.66(6) Å3, Z = 2, R(F) = 0.028, wR(F 2) = 0.070. 4, C16H16N2O4Zn, M r = 365.68, monoclinic, P21/c (No. 14), a = 10.6385(5) Å, b = 4.2967(3) Å, c = 15.2844(8) Å, β = 95.941(3)°, V = 694.89(7) Å3, Z = 2, R(F) = 0.038, wR(F 2) = 0.107.  相似文献   

5.
A new reduced ferrous molybdophosphate composite solid of the formula, [(C10H14N2)H]4[FeII 10MoV 24(H2PO4)4(HPO4)12(PO4)4(H2O)16(OH)16O44]·12H2O, has been synthesized from a reaction mixture of MoO3, FeSO4·7H2O, C2H2O4·2H2O, nicotine, H3PO4, and H2O under hydrothermal conditions. The crystal data: monoclinic, space group C2/m, a = 24.4349(124), b = 12.9935(66), c = 14.7281(74) Å, β = 104.87(1) Å, V = 4520(4) Å3, Z = 2, R 1  = 0.0874, wR 2  = 0.2179. The structure is built from the building blocks of the formula, {FeII[Mo6P4O31]2}, consisting of a network of MO6 (M = Fe, Mo) octahedral and PO4 tetrahedral linked through their vertices. The connectivity of the building blocks with two pairs of face-sharing dinuclear Fe(II) clusters of the formula of [FeII 2(H2O)4O5] on which a phosphate group is hanging gives rise to one-dimensional chains with eight-membered apertures. The remarkable hydrogen bonded interactions between the chains form a unique and interesting framework with three-dimensional intersecting tunnels where the protonated nicotine molecules as structuring templates and crystallization water molecules are situated.  相似文献   

6.
The two-quantum photochemistry of aqueous solutions of cis,trans-[PtIV(en)(I)2(CH3COO)2] (complex 1) has been studied by laser flash photolysis using an irradiation wavelength of 355 nm. This compound can be considered as a model representative of the mixed-ligand Pt(IV) complexes tested for use in photodynamic therapy. The appearance of transient absorption, presumably due to two consecutively produced Pt(III) complexes, has been revealed. The spectral and kinetic characteristics of the intermediates have been determined. A mechanism of two-quantum photolysis of complex 1 is proposed on the basis of the data obtained.  相似文献   

7.
The trans(O)-cis(C)-bis(pyridine-2-carboxylato)dicyanocobaltate(III) ions, [Co(Pic)2(CN)2]?, crystallize from acid medium with three water molecules per two crystallographically nonequivalent complexes whose charge is compensated by protons. One of the water molecules forms an oxonium ion (H3O+) with a proton. The other two water molecules bound to each other through a short hydrogen bond O-H…O (2.403(2) Å) and thus forming (H5O2)+ cations is another proton site. The (H3O)(H5O2)[Co(Pic)2(CN)2]2 crystals are monoclinic: a = 10.7027(7) Å, b = 25.786(1) Å, c = 11.4865(8) Å, β = 91.411(9)°, Z = 4, space group P21/n.  相似文献   

8.
The structural features of 38 mononuclear d 2-Re(V) octahedral monooxo complexes (I–XXXVIII) with oxygen atoms of bidentate-chelating (O, P) ligands (L n ) are considered. The atoms O(L n ) are mostly in trans positions to O(oxo) ligands. In three compounds of general formula [ReO(Lmono)(L n )2] (XXXVI–XXXVIII), the O atoms of two L n ligands occupy both trans and cis positions to oxo ligands. In one complex, namely, in [ReO(L n )(L tri 11 )], n = 3 (XXXV), the atom O(L3) is in the cis position to the oxo ligand; the trans position to O(oxo) is occupied by the atom O(L tri 11 ).  相似文献   

9.
A new complex, trans-tetraaqua(dibromo)nickel(II) 4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane dibromide, [NiBr2(H2O)4][H2(Crypt-222)]Br2 (I), was synthesized and its crystal sructure was studied by X-ray diffraction analysis: space group P21/c, a = 13.573, b = 8.328, c = 14.523 Å, β = 111.08°, Z = 2. Structure I was solved by a direct method and refined by full-matrix least-squares method in anisotropic approximation to R = 0.067 on 2684 independent reflections (CAD-4 autodiffractometer, λMoKα). The octahedral complex molecule [NiBr2(H2O)4] and the [H2(Crypt-222)]2+ dication (with two protonated N atoms) are located around the inversion center; the latter is statistically disordered. The dication contains trifurcate hydrogen bonds N-H(…O)3. Crystal I also contains intermolecular hydrogen bonds O(w)-H…Br?, which join the complex molecules [NiBr2(H2O)4] and the Br? anions into infinite “thick” layers parallel to the plane yz.  相似文献   

10.
The composition and equilibria in solutions of the products of reaction of HfF4(dmso)2 with monodentate phosphoryl-containing bases L = Ph3PO, Bu3PO, and (Me2N)3PO in CH2Cl2 are studied by 19F NMR. Octahedral molecular complexes cis-[HfF4L2] and minor amounts of trans-[HfF4L2] and fac-[HfF3L3]+ cations were the main products for all ligands. The oxytrifluoride complex (μ-O)[HfF3(Bu3PO)2]2 and the [HfF5(Bu3PO)] anion were identified in the case of Bu3PO. The conclusion about the formation of the hafnium oxytrifluoro complex was verified via hydrolysis of the product of reaction between HfF4 and Ph3PO upon exposure to air. As a result, (μ-O)[HfF3(Ph3PO)2]2 were detected; fine-structure 19F NMR resonance lines were obtained and the spin–spin coupling constant JFF was measured for the first time. Hydrolysis via adding a Bu4NOH solution in i-PrOH to the HfF4L2 solutions in CH2Cl2 did not yield the expected zirconium oxyfluoro complexes with the smaller number of fluorine atoms. Due to deeper hydrolysis, equilibrium in fluoride complexes shifted towards species with higher fluorine contents, [ZrF5L] and [ZrF6]2–, resulting in the formation of Hf(O)x(OH)у(i-PrOH)z complexes that were not observed in the 19F NMR spectra and the substitution of the released fluoride ions for molecular ligands in HfF4L2 complexes.  相似文献   

11.
The cadmium O,O′-dethyl (I) and O,O′-di-sec-butyl phosphorodithioate (II) complexes have been synthesized and characterized in detail by 13C, 31P, and 113Cd CP/MAS NMR. X-ray crystallography shows that complex II has a binuclear molecular structure [Cd2{S2P(O-s-C4H9)2}4]. For 31P and 113Cd NMR signals, the chemical shift anisotropy δaniso and the asymmetry parameter η have been calculated. The 31P NMR signals are assigned to the terminal and bridging ligands in the complexes.  相似文献   

12.
The rate constants were determined for a number of reactions of nucleophilic addition of para-substituted benzamidoximes 4-RC6H4C(NH2)=NOH to cis-[PtCl2(EtCN)2] at 23°C in acetone. A linear correlation between log (k R/k H) and σ para was found, and reaction constant ρ296 para ) was calculated. The prepared compounds were characterized by IR, 1H NMR, and HR ESI+-MS.  相似文献   

13.
The structures of three novel octahedral rhenium cluster compounds [Re6S8(CN)2(py)4]·H2O (1), [Re6S8(CN)2(4-Mepy)4] (2), [Re6S8(CN)2(4-Mepy)4]·4-Mepy (3) (py = pyridine, 4-Mepy = 4-methylpyridine) are determined by X-ray crystallography. Crystal data are: C2/m space group, a = 14.813(1) Å, b = 14.772(1) Å, c = 9.2122(6) Å, β = 119.085(2)°, V = 1761.7(2) Å3, d x = 3.318 g/cm3, R = 0.0585 (1); I41/amd space group, a = 16.0018(3) Å, c = 14.7186(5) Å, V = 3768.81(16) Å3, d x = 3.169 g/cm3, R = 0.0489 (2); P21/c space group, a = 9.0452(4) Å, b = 15.8065(7) Å, c = 15.2951(6) Å, β = 103.700(2)°, V = 2124.57(16) Å3, d x = 2.957 g/cm3, R = 0.0245 (3). Molecular cluster complexes interact via π-π stacking affording 3D frameworks in 1 and 2 and chains in 3.  相似文献   

14.
Vanadium(V) complexes of general composition M3VO2(SO4)2 (M = Rb, Cs) were synthesized by a solid-state route. The individuality of the synthesized compounds was proved by X-ray and neutron diffraction, vibrational spectroscopy, and microscopic analysis. The X-ray diffraction patterns of M3VO2(SO4)2 were indexed to fit the monoclinic system (space group P2/c, Z = 4) with the following unit cell parameters: a = 11.6487(2) Å, b = 8.4469(2) Å, c = 12.1110(2) Å, β = 109.483(1)°, V = 1123.43 Å3 (Rb); a = 12.0546(3) Å b = 8.7706(2) Å, c = 12.6496(3) Å, β = 109.843(2)°, V = 1257.99 Å3 (Cs). In the crystal structure of M3VO2(SO4)2, [VO2(SO4)2]3? complex anions can be discerned in which the vanadium atom is surrounded by five oxygen atoms: two oxygen atoms form short terminal V–O bonds, and three oxygen atoms are from the two sulfato groups, one of which acts as a monodentate ligand and the other acts as a bidentate chelating ligand.  相似文献   

15.
(NH4)Sb4F13 crystals (I) are synthesized and their crystal structure (tetragonal crystal system: a = 9.6431(2) Å, c = 6.5503(2) Å, V = 609.11(3) Å3, Z = 2, d calc = 4.100 g/cm3, F(000) = 664, space group I4?) is determined. The main structural units of I are tetranuclear anionic [Sb4F13]? complexes and [NH4]+ cations. The anionic complexes are built of four SbF3 groups linked together by tetrahedral bridging fluorine atom. At room temperature the (NH4)Sb4F13 crystals are isostructural to previously studied МSb4F13 (М = K, Rb, Cs, and Tl). The study of 121,123Sb NQR spectra of compound I is performed in a range of 77-370 K, which shows that when the temperature decreases (<250 K) the substance exhibits piezoelectric properties, as do other compounds of this group, but with a violation of their isostructurality.  相似文献   

16.
The reaction of cyclopentylamine with 2-hydroxy-1-naphthaldehyde and 5-nitrosalicylaldehyde, respectively, in methanol affords two new Schiff bases, 1-(cyclopentyliminomethyl)naphthalen-2-ol (HL1) and 4-nitro-2-(cyclopentyliminomethyl)phenol (HL2). Two new zinc(II) complexes, [Zn(L1)2] (I) and [Zn(L2)2] (II), derived from the Schiff bases, have been prepared and characterized by single-crystal X-ray diffraction, FT-IR, and elemental analysis. Complex I crystallizes in the monoclinic space group P21/c with a = 17.834(4), b = 14.738(3), c = 9.868(2) Å, β = 91.20(3)°, V = 2593.1(9) Å3, Z = 4. Complex II crystallizes in the triclinic space group P \(\bar 1\) with a = 10.206(1), b = 10.502(1), c = 12.554(1) Å, α = 66.771(2)°, β = 78.133(2)°, γ = 76.292(2)°, V = 1191.8(1) Å3, Z = 2. The Zn atom in each complex is coordinated by two N and two O atoms from two Schiff base ligands, forming a tetrahedral geometry. The Schiff bases and the complexes were assayed for antibacterial activities.  相似文献   

17.
The complex [UO2(SeO4)(C5H12N2O)2(H2O)] (I) was synthesized and studied by thermal analysis, IR spectroscopy, and X-ray crystallography. The crystals are orthorhombic: a = 13.1661(3) Å, b = 16.4420(5) Å, c = 17.4548(6) Å, Pbca, Z = 8, R = 0.0423. The structural units of crystal I are chains with the composition coinciding with that of the compounds of the AB2M 3 1 crystal chemical group of the uranyl complexes (A = UO 2 2+ , B2 = SeO 4 2? , M1 = C5H12N2O and H2O).  相似文献   

18.
195Pt, 1H, and 13C NMR spectroscopy was used to study the structure of binuclear platinum(III) acetamidate complexes with 1,10-phenanthroline and 2,2′-bipyridine ligands [Pt2(phen)2(acam)4](NO3)2 (1) and [Pt2(bipy)2(acam)4](NO3)2 (2) in aqueous solutions. The 195Pt NMR spectra of solutions of complexes 1 and 2 in D2O exhibit two signals with satellites due to the 195Pt–195Pt spin-spin coupling (1 J(Pt–Pt) ≈ 6345 Hz), whereas their 1H and 13C NMR spectra contain four sets of signals for the protons and the carbon atoms of the heterocyclic and acetamidate ligands. The signals were assigned using the COSY, NOESY, and HSQC/ HMBC experiments and comparing the coordination shifts of the signals for the protons of heterocycles. These data allowed us to draw a conclusion that binuclear complexes 1 and 2 in solution have a head-to-head structure with nonequivalent platinum(III) atoms (coordination cores PtN5 and PtN3O2), the axial-equatorial coordination of the bidentate heterocyclic molecules, and two bridging and two terminal acetamidate ligands.  相似文献   

19.
Potassium oxosulfatovanadate(V) K3VO2(SO4)2 has been obtained by solid-phase synthesis from K2SO4, K2S2O7, and V2O5 (2: 1: 1), and its formation conditions, crystal structure, and physiochemical properties have been studied. The conversions of K3VO2(SO4)2 in contact with potassium vanadates and other potassium oxosulfatovanadates(V) are considered in terms of phase relations in the K2O-V2O5-SO3 system, which models the active component of vanadium catalysts for sulfur dioxide oxidation into sulfur trioxide. The X-ray diffraction pattern of K3VO2(SO4)2 is indexed in the monoclinic system (space group P21) with unit cell parameters of a = 10.0408(1) Å, b = 7.2312(1) Å, c = 7.3821(1) Å, β = 104.457(1)°, Z = 2, and V = 519.02 Å3. The crystal structure of K3VO2(SO4)2 is built from [VO2(SO4)2]3? complex anions, in which the vanadium atom is in an octahedral oxygen environment formed by two terminal oxygen atoms (V-O(6) = 1.605(7) Å, V-O(10) = 1.619(7) Å and four oxygen atoms of the two chelating sulfate anions. The vibrational spectra of K3VO2(SO4)2 are analyzed using these structural data.  相似文献   

20.
To contribute to the understanding of Eu(III) interaction preperties on hydrous alumina particles in the absence and presence of fulvic acid (FA), the complexation properties of Eu(III) with hydrous alumina, FA and FA-alumina hybrids are studied by batch and time-resolved laser fluorescence spectroscopy (TRLFS) techniques. The continuous increase in the fluorescence lifetime of Eu-alumina and Eu-FA with increasing pH indicates that the complexation is accompanied by decreasing number of hydration water in the first coordination sphere of Eu(III). Eu(III) is adsorbed onto alumina particles as outer-sphere surface complexes of ≡(Al?O)?Eu· (OH)· 7H2O and ≡(Al?O)?Eu· 6H2O at low pH values, and as inner-sphere surface complexes as ≡(Al?O)2?Eu+· 4H2O at high pH. In FA solution, Eu(III) forms complexes with FA as (COO)2Eu+(H2O) x and the hydration water number in the first coordination sphere decreases with pH increasing. The formation of ≡COO?Eu?(O?Al≡)· 4H2O is observed on FA-alumina hybrids, suggesting the formation of strong inner-sphere surface complexes in the presence of FA. The surface complexes are also characterized by their emission spectra [the ratio of emission intensities of 5 D 07 F 1 (λ=594 nm) and 5 D 07 F 2 (λ=619 nm) transitions] and their fluorescence lifetime. The findings is important to understand the contribution of FA in the complexation properties of Eu(III) on FA-alumina hybrids that the clarification of the environmental behavior of humic substances is necessary to understand fully the behavior of Eu(III), or its analogue trivalent lanthanide and actinide ions in natural environment.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号