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1.
The title complexes, (C5H6N)[Ce(NO3)4(C15H11N3)]·C5H5N or (Hpy)­[Ce(NO3)4(terpy)]·py, (I) (py is pyridine, C5H5N, and terpy is ter­pyridine, C15H11N3), and [Ce(NO3)3­(C15H11N3)(CH4O)2] or [Ce(NO3)3(terpy)(OHCH3)2], (II), are 11-coordinate. The coordination polyhedron of the Ce atom in (I) is irregular, while that in (II) can be described as an icosahedron with two vertices replaced by one.  相似文献   

2.
Abstract

The synthesis and characterization of the dinuclear Cu(II) complex [Cu(μ2-OH){Ph2P(O)NP(O)Ph21O,O′}(1,10-phen-κ2N,N′)]2·2H2O (1), 1,10-phen?=?1,10-phenanthroline, is described. X-ray crystallographic studies reveal that the Cu(II) centers of 1 are bridged by two OH? groups and are coordinated by the (O,O)?= Ph2P(O)NP(O)Ph2? ligand in a monodentate fashion, unprecedented for Cu(II). The crystal lattice of 1 also contains H2O molecules, which are involved in the formation of a hydrogen bonding network with bridging OH? groups and noncoordinated O atoms of the (O,O) ligand. These H2O molecules are arranged in the crystal lattice of 1 as tetrameric clusters. The packing of molecules in the structure of 1 was investigated by Hirshfeld Surface analysis.  相似文献   

3.
《Polyhedron》1999,18(23):3027-3030
The [η5-CpCo{P(O)(OMe)2}3Y(O2CCH3)2]2, yttrium(III) complex has been synthesized by the stoichiometric mixture of YCl3, NaLOMe and NaAc in a 1:1:2 molecular ratio in dry THF solvent and we have determined the structure by X-ray diffraction. The molecule is a dimeric compound, which consists of one tripodal ligand (LOMe=CpCo[P(O)(OMe)2]3) and two bridging acetato (Ac) ligands on each yttrium atom. The acetate ligands of this complex have two different coordination modes, which are μ-κO:κO′-acetato and μ-κO:κ2O′-acetato bound to each yttrium atom.  相似文献   

4.
Journal of Structural Chemistry - Reaction of Pd(acac)2 with BF3·OEt2 in the presence of tri(2-furyl)phosphine in toluene yields complex [Pd(acac)(TFP)2]BF4 (I) (TFP is tri(2-furyl)phosphine)...  相似文献   

5.
The preparation and characterization of a new gallium(III) complex with quinoline-2-carboxylate, of formula [Ga(quin-2-c)2Cl], are described. The crystal structure of the complex has been determined by X-ray diffraction, crystallizing in monoclinic space group P21/n with Ga(III) adopting a distorted tetragonal pyramid. Gallium(III) coordinates two quinoline-2-carboxylates and one chloride with a Cl,N2,O2 donor set. In the crystal the 2-D supramolecular structure is generated by weak intermolecular interactions, C–H?···?O, C–H?···?Cl, and C–H?···?π. The cytotoxicity assays against several human cancer cell lines (Du145, A549, MCF-7, A498, HT-29) and against mouse fibroblasts (BALB/3T3) revealed moderate antiproliferative activity of the complex.  相似文献   

6.
The title compound has been synthesized and characterized crystallographically. It is a co-crystal consisting of two different neutral zinc(Ⅱ) complexes with Hbpbm (Hbpbm = 4-bromo-2-(benzimidazol-2-yl)phenol) and Hnpbm (Hnpbm = 2-(1-butylbenzimidazol-2-yl)phenol).One is a monomeric mixed-ligand complex of [Zn(bpbm)(npbm)] 1 and the other a dimer of[Zn2(npbm)4] 2 with their ratio of 2:1. Thus the overall formula for the title compound is 21·2.Adjacent 1 and 2 are connected to each other by intermolecular hydrogen bonding interactions in the lattice. The crystal data: monoclinic, space group P21/c, a= 15.0141(12), b = 20.9941(17), c =18.4686(15) (A), β = 97.445(2)°, V= 5772.4(8) (A)3, Mr= 2429.68, Z = 2, Dc = 1.398 g/cm3,μ = 1.579mm-1, F(000) = 2504, R = 0.0637 and wR = 0.1771 for 6464 observed reflections (I> 2σ(Ⅰ)). The geometrical structure for 1 has also been theoretically optimized and compared with the experimental one.  相似文献   

7.
Summary.  Oxo peroxo glycolato complexes of vanadium(V) (M 2[V2O2(O2)2(C2H2O3)2nH2O (n=0, 1; M=NBu4 + (1), K+ (2), NH4 + (3), Cs+ (4), NPr4 + (5)) as well as (NBu4)2[V2O4(C2H2O3)2]ċ H2O (6) have been prepared and characterized by spectroscopic methods. X-Ray structure analysis of 1 revealed the presence of dinuclear [V2O2(O2)2(C2H2O3)2]2− anions with a (chemical structure) bridging core and six coordinated vanadium(V) atoms in a distorted pentagonal pyramidal array. Received July 12, 1999. Accepted (revised) October 28, 1999  相似文献   

8.
Abstract

Reactions of Mo(CO)6 with Na2WO4 · 2H2O in refluxing carboxylic anhydride produce the triangular bioxo-capped mixed-metal carboxylate clusters Na[MoW2O2(O2CR)9] (R = Me, 1; Et, 2), the propionate being hydrolyzed in 2M HCl containing ZnCl2 to form [MoW2O2(O2CEt)6(H2O)3]ZnCl4·2H2O (3). Cluster 2 is converted to the incomplete cuboidal tetraanion [MoW2O4(O2CEt)8]4- upon reacting with Cr(CO)6 in propionic anhydride at 120°, the latter species being trapped by Cr and Na± ions in the reaction mixture to afford the octanuclear heterometallic chain-like cluster Na2Cr2 [MoW2O4(O2CEt)8]2 (4). Clusters 1, 3 and 4 have been characterized by X-ray crystallography with the following crystal data, for 1: monoclinic, space group P21/c, a = 16.666(8), b = 11.096(3), c = 16.541(7) Å, β = 94.60(4)°, V = 3048.9 Å3, Z = 4, R, Rw = 0.070, 0.079; for 3, monoclinic, space group Cm, a = 10.259(3), b = 15.756(3), c = 10.870(3) Å, β = 96.18(3)°, V = 1746.8 Å3, Z = 2, R, Rw = 0.028, 0.034; for 4, triclinic, space group P-1, a = 13.013(5), b = 14.005(4), c = 12.357(4) Å, α = 109.71(2), β = 117.77(3), γ = 90.41(3)°, V = 1838.9 Å3, Z = 1, R, Rw = 0.037, 0.042.  相似文献   

9.
Tris(2-hydroxymethyl-4-oxo-4H-pyran-5-olato-κ2O5,O4)iron(III) [Fe(ka)3], has been characterised by magnetic susceptibility measurements Mössbauer and EPR spectroscopy. The crystal structure of [Fe(ka)3] has been determined by powder X-ray diffraction analysis. Magnetic susceptibility and EPR measurements indicated a paramagnetic high-spin iron centre. Mössbauer spectra revealed the presence of magnetic hyperfine interactions that are temperature-independent down to 4.2?K. The interionic Fe3+ distance of 7.31?Å suggests spin-spin relaxation as the origin of these interactions.  相似文献   

10.
根据稀土离子能级的特点,对Ga2O3-La2O3-Yb2O3-Er2O3(HO2O3)体系的光谱性质进行了探讨,发现它们有二类发光性质:Stokes发光和反Stokes发光,研究了发光强度和发射波长与掺杂离子的依赖关系,观察到由能量的共振转移引起的荧光浓度猝灭现象,并取得了最大发光强度时的掺杂离子浓度和一些规律性结果.  相似文献   

11.

Reaction of a freshly prepared Ni(OH)2?2 x (CO3) x ·yH2O with maleic acid in H2O at room temperature afforded [Ni(H2O)6][Ni(H2O)2(C4H2O4)]·4H2O, which consists of [Ni(H2O)6]2+ cations, [Ni(H2O)2(C4H2O4)]2? anions and lattice H2O molecules. Ni atoms in cations are octahedrally coordinated and Ni atoms in anions are each octahedrally coordinated by bidentate chelating maleato ligands and two water molecules at trans positions. Cations and anions are interlinked by hydrogen bonds to form 1D chains, which are hexagonally arranged and connected by the lattice water molecules. When heated in a flowing argon stream, the compound decomposes, with complete dehydration being followed by dissociation of nickel maleate into NiO and maleic anhydride.  相似文献   

12.
Calcium titanate (CaTiO3) was conveniently synthesized by thermal decomposition of a single-source precursor [Ca(H2O)3]2[Ti2(O2)2O(NC6H6O6)2]·2H2O at low temperature. This single-source precursor was characterized by elemental analysis, IR spectrum, thermal gravimetric analysis and X-ray single crystal diffraction. The calcined products at different temperature were further characterized by powder X-ray diffractions and IR spectra. The morphology, microstructure, and crystallinity of the resulting CaTiO3 materials have been characterized by SEM and TEM. The BET measurement revealed that the CaTiO3 powders had a surface area of 14.0 m2/g. In addition, the microwave dielectric properties of the resulting CaTiO3 material have been measured.  相似文献   

13.
The tris(2-chloromethyl-4-oxo-4H-pyran-5-olato-κ2O5,O4)iron(III), [Fe(kaCl)3], has been synthesized and characterized by the crystal structure analysis, magnetic susceptibility measurements, Mössbauer, and EPR spectroscopic methods. The X-ray single crystal analysis of [Fe(kaCl)3] revealed a mer isomer. The magnetic susceptibility measurements indicated the paramagnetic character in the temperature range of 2 K–298 K. The EPR and Mössbauer spectroscopy confirmed the presence of an iron center in a high-spin state. Additionally, the temperature-independent Mössbauer magnetic hyperfine interactions were observed down to 77 K. These interactions may result from spin–spin relaxation due to the interionic Fe3+ distances of 7.386 Å.  相似文献   

14.
The title complexes, K3[Cd(Dtpa)] (H5Dtpa = diethylenetriamine-N,N,N,N′,N′-pentaacetic acid, (I)), K2[Cd(H2O)4][Cd(Edta)(H2O)]2 · 2H2O (H4Edta = ethylenediamine-N,N,N′,N′-tetraacetic acid, (II)), and Na2[Cd(H2O)4][Cd(Edta)(H2O)]2 · 2H2O (III), were prepared, and their compositions and structures were determined by elemental analyses, IR spectra, and single-crystal X-ray diffraction techniques, respectively. In complex I, the Cd is seven-coordinated by one Dtpa ligand yielding a pseudo-monocapped trigonal prism conformation, and the complex crystallizes in the triclinic crystal system with the Pi space group. The crystal data are as follows: a = 8.7300(17), b = 9.1200(18), c = 15.110(3) Å, α = 95.52(3)°, β = 96.59(3)°, γ = 99.63(3)°, V = 1170.0(4) Å3, Z = 2, ρ = 1.754 g/cm3, μ = 1.519 mm?1, F(000) = 616, R = 0.0644 and wR = 0.1712 for 3842 observed reflections with I ≥ 2σ(I). For complex II, in the [Cd(Edta)(H2O)]2? complex anion the Cd2+ ion is seven-coordinated by one Edta ligand and one water molecule, yielding a pseudo-pentagonal bipyramid conformation. In the [Cd(H2O)4]2+ cation, the bridged Cd is six-coordinated, yielding an almost standard octahedral conformation. The complex crystallizes in the monoclinic system with P21/n space group. The crystal data are as follows: a = 9.098(3), b = 16.442(6), c = 12.023(4) Å, β = 91.053(6)°, V = 1798.3(12) Å3, Z = 2, ρ = 2.098 g/cm3, μ = 2.086 mm?1, F(000) =1124, R = 0.0406 and wR = 0.1152 for 3680 observed reflections with I ≥ 2σ(I). In complex III, the conformations of Cd2+ ions are similar to those of the potassium salt complex, and the complex also crystallizes in the monoclinic crystal system with the P21/n space group. The crystal data are as follows: a = 9.134(7), b = 16.500(13), c = 12.075(10) Å, β = 91.054(12)°, V = 1820(2) Å3, Z = 2, ρ = 2.015 g/cm3, μ = 1.856 mm?1, F(000) = 1092, R = 0.0363 and wR = 0.0879 for 3707 observed reflections with I ≥ 2σ(I).  相似文献   

15.
The thermal behaviour of Ba[Cu(C2O4)2(H2O)]·5H2O in N2 and in O2 has been examined using thermogravimetry (TG) and differential scanning calorimetry (DSC). The dehydration starts at relatively low temperatures (about 80°C), but continues until the onset of the decomposition (about 280°C). The decomposition takes place in two major stages (onsets 280 and 390°C). The mass of the intermediate after the first stage corresponded to the formation of barium oxalate and copper metal and, after the second stage, to the formation of barium carbonate and copper metal. The enthalpy for the dehydration was found to be 311±30 kJ mol–1 (or 52±5 kJ (mol of H2O)–1). The overall enthalpy change for the decomposition of Ba[Cu(C2O4)2] in N2 was estimated from the combined area of the peaks of the DSC curve as –347 kJ mol–1. The kinetics of the thermal dehydration and decomposition were studied using isothermal TG. The dehydration was strongly deceleratory and the -time curves could be described by the three dimensional diffusion (D3) model. The values of the activation energy and the pre-exponential factor for the dehydration were 125±4 kJ mol–1 and (1.38±0.08)×1015 min–1, respectively. The decomposition was complex, consisting of at least two concurrent processes. The decomposition was analysed in terms of two overlapping deceleratory processes. One process was fast and could be described by the contracting-geometry model withn=5. The other process was slow and could also be described by the contracting-geometry model, but withn=2.The values ofE a andA were 206±23 kJ mol–1 and (2.2±0.5)×1019 min–1, respectively, for the fast process, and 259±37 kJ mol–1 and (6.3±1.8)×1023 min–1, respectively, for the slow process.Dedicated to Prof. Menachem Steinberg on the occasion of his 65th birthday  相似文献   

16.
[Pb2(TNR)2(CHZ)2(H2O)2]4H2O的结构及热分解机理   总被引:1,自引:0,他引:1  
The coordination compound of [Pb 2(TNR) 2(CHZ) 2(H 2O) 2]•4H 2O was prepared by using the aqueous solution of carbohydrazide, lead nitrate and sodium styphnate. The molecular structure of [Pb 2(TNR) 2(CHZ) 2(H 2O) 2]•4H 2O(C 7H 13 N 7O 12 Pb, Mr=594.43) was determined by using a single crystal diffraction analysis .The thermal decomposition mechanism of the title compound was studied by TGDTG, DSC and IR techniques. The crystal belongs to monoclinic with space group P2 1/n.The unit cell parameters are as follows: a=0.64700(10)nm, b=1.6074(3)nm, c=1.4883(3)nm,β=97.42(2)°,V=1.5349(5)nm3, Z=2, DC=2.572g•cm -3 ,μ(Mo, Kα)=11.080cm -1 , F(000)=1128. R=0.0422, Rw=0.0735. The binuclear lead coordination compound is bridged by two carbohydrazide molecules. The molecule has a symmetrical center. TNR 2- ,CHZ and H 2O coordinate with the central ions simultaneously.  相似文献   

17.
18.
[Mn2(TNR)2(CHZ)2(H2O)4]·2H2O的合成和晶体结构   总被引:3,自引:0,他引:3  
将MnCO3与2,4,6-三硝基间苯二酚(斯蒂芬酸、TNR)分散于蒸馏水中,加热搅拌制备出斯蒂酚酸锰溶液,再与碳酰肼(CHZ)水溶液反应制备〖Mn2(TNR)2(CHZ)2(H2O)4〗·2H2O(C14H26Mn2N14O24,Mr=884.36),并对其进行了元素分析和红外表征,利用单晶分析测定了晶体结构。该化合物为双核配合物,属三斜晶系,空间群为^-P1,晶体学数据如下:a=7.280(1)  相似文献   

19.
Compounds p-HOOCC6F4COOH · H2O (H2L · H2O), [Tb2(H2O)4(L)3 · 2H2O] n (I), and Tb2(Phen)2(L)3 · 2H2O (II) are synthesized. According to the X-ray structure analysis data, the crystal structure of H2L · H2O is built of centrosymmetric molecules H2L and molecules of water of crystallization. The crystal structure of compound I is built of layers of coordination 2D polymer [Tb2(H2O)4(L)3] n and molecules of water of crystallization. The ligands are the L2? anions performing both the tetradentate bridging and pentadentate bridging-chelating functions. The coordination polyhedron TbO9 is a distorted three-capped trigonal prism. Acid H2L manifests photoluminescence in the UV region (??max = 368 nm). Compounds I and II have the green luminescence characteristic of the Tb3+ ions, and the band with ??max = 545 nm (transition 5 D 4?? 7 F 5) is maximum in intensity. The photoluminescence intensity of compound II is higher than that for compound I.  相似文献   

20.
用碳酰肼 (CHZ ,NH2 NHCONHNH2 )、硝酸铅和三硝基间苯二酚 (TNR ,斯蒂酚酸 )的水溶液制备 [Pb2 (TNR) 2 (CHZ) 2 (H2 O) 2 ]·4H2 O .采用单晶分析的方法测定它的分子结构 ,并用TG DTG、DSC和 IR相结合的技术研究它的热分解机理 .所得晶体属单斜晶系 ,P2 1/n空间群 .晶体学参数为 :a=0 .6470 0 ( 10 )nm ,b =1.60 74 ( 3)nm ,c=1.4 883( 3)nm ,β =97.4 2 ( 2 )° ,V =1.534 9( 5)n ,Z =2 ,DC=2 .572 g·cm- 3,μ(Mo ,Kα) =11.0 80cm- 1,F( 0 0 0 ) =112 8.最终偏离因子R =0 .0 4 2 2 ,Rw=0 .0 735.该配合物分子呈中心对称 ,两个羰基O原子形成两个氧桥 ,TNR2 - ,CHZ和H2 O同时参与了与中心离子的配位  相似文献   

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