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1.
WANG Xiao-Qin WEN Yi-Hang KANG Yao ZHANG Jian CHENG Jian-Kai LI Zhao-Ji YAO Yuan-Gen 《结构化学》2006,25(1)
The title compound, [Cu(phen)2(SO4)(H2O)]·0.5C4H4O4·7H2O (phen = 1,10-phe-nanthroline and C4H4O4 = fumaric acid), has been synthesized and characterized by single-crystal X-ray diffraction. The crystal is of triclinic, space group P with a = 11.4827(2), b = 11.9086(2), c = 13.77350(10)(A), α = 80.6830(10), β = 66.6480(10), γ = 64.0480(10)o, V = 1554.63(4) (A)3, Mr = 722.17, Z = 2, Dc = 1.543 g/cm3, μ = 0.845 mm-1, F(000) = 750, R = 0.0349 and wR = 0.0837 for 4754 observed reflections (I > 2σ(I)). The compound contains a six-coordinated copper(II) center, which is surround by four N atoms of two phen ligands (Cu-N distances in the range of 1.997(2)~2.225(2)(A)), one sulfate O atom (Cu-O = 2.0037(17) (A)) and one water O atom (Cu-O(5w) = 2.719(2) (A)) in a distorted octahedral geometry. Extensive hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, π-π interactions via aromatic nitrogen-containing ligands are also discussed. The combination of non-covalent interactions leads to the formation of a 3-D network structure. 相似文献
2.
Equilibrium solubility curves of the ammonium aluminium sulphate in aqueous solutions of sulphuric acid have been calculated
using checked literature data and our own measurements. The concentration of sulphuric acid ranged from 0 to 23 mass%, temperature
range between 20 and 60°C has been extrapolated up to 75°C by means of a thermodynamically based correlation method. The solubility
correlation as well as the hydration analysis implied a possible destructuralization of solutions at higher acid concentrations.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
3.
Haojie Lu Wang Ruiting Zhang Linghua Chen Daimei Hao Qiang Ma Chao Yao Wenqing 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2018,92(10):2075-2080
Russian Journal of Physical Chemistry A - In this work, Bi(OH)SO4 · H2O, a novel photocatalyst was prepared by a facile method. The sample was characterized by XRD, XPS, SEM, Mott-Schottky... 相似文献
4.
《Journal of Coordination Chemistry》2012,65(21):3420-3437
Two Cu(II) hydroxo succinates [Cu3(H2O)2(OH)2(C4H4O4)2]?·?4H2O (1) and [Cu4(H2O)2(OH)4(C4H4O4)2]?·?5H2O (2) and one Cu(II) hydroxo glutarate [Cu5(OH)6(C5H6O4)2]?·?4H2O (3) have been prepared and structurally characterized by single crystal X-ray diffraction methods. They feature 1D and 2D copper oxygen connectivity of elongated {CuO6} octahedra in “4?+?1?+?1” and “4?+?2” coordination geometries. Within 1, linear trimers of three edge-sharing {CuO6} octahedra are connected into copper oxygen chains, which are bridged by the anti conformational succinate anions to generate 2D layers with mono terminally coordinating gauche succinate anions on both sides. The layers are assembled into a 3D framework by interlayer hydrogen bonds with lattice H2O molecules distributed in channels. Different from 1, the principal building units in 2 are linear tetramers of four edge-sharing {CuO6} octahedra. The tetramers are condensed into copper oxygen chains and the succinate anions interlink them into a 3D framework with triangular channels filled by lattice H2O molecules. The {CuO6} octahedra in 3 are edge-shared to form unprecedented 2D inorganic layers with mono terminally coordinating glutarate anions on both sides. Interlayer hydrogen bonding interactions are responsible for supramolecular assembly of the layers into a 3D framework with lattice H2O molecules in the channels. The inorganic layers in 3 can be described as hexagonal close packing of oxygen atoms with the Cu atoms in the octahedral cavities. The title compounds were further characterized by elemental analyses, IR spectra and thermal analyses. 相似文献
5.
《Journal of Coordination Chemistry》2012,65(11):967-973
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
6.
《Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy》1990,46(9):1291-1297
Infrared and Raman spectra of NH4Ce(SO4)2·4H2O, NH4La(SO4)2·4H2O and the deuterated compounds NH4Ce(SO4)2·4D2O and NH4La(SO4)2·4D2O have been analysed. Splittings indicating the presence of two types of SO4 ions are not observed. The SO bond strengths of the different SO4 units are not significantly different. The SO4 ion is distorted in these compounds. Deuteration causes changes in the SO4 bond strength. Three crystallographically distinct water molecules exist in the unit cell. 相似文献
7.
8.
S. V. Larionov L. I. Myachina L. A. Glinskaya I. V. Korol’kov E. M. Uskov O. V. Antonova V. M. Karpov V. E. Platonov V. P. Fadeeva 《Russian Journal of Coordination Chemistry》2012,38(12):717-723
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
9.
10.
The crystal of the title compound (C10H18N2O9SZn Mr= 407. 69) belongs to the hexagonal system, space group P65 with cell parameters: a= 11. 411(2), c=20. 908(4) A, V=2357.7(7)A 3, Z=6, Dc=1. 723g/cm3, F(000)=1260,μ(MoKα) =1. 743mm-1. The final R and wR factors are 0. 072 and 0. 178 respectively for 1335 observed reflections. In the structure, zinc ions are bridged by 4,4'-bipyridine to form infinite chains. The sheets containing parallel chains stack along a 65 screw axis to give a helical staircase motif. The helical structure is mainly controlled by the hydrogen bonds. 相似文献
11.
Ternary clusters (NH3)·(H2SO4)·(H2O)n have been widely studied. However, the structures and binding energies of relatively larger cluster (n > 6) remain unclear, which hinders the study of other interesting properties. Ternary clusters of (NH3)·(H2SO4)·(H2O)n, n = 0-14, were investigated using MD simulations and quantum chemical calculations. For n = 1, a proton was transferred from H2SO4 to NH3. For n = 10, both protons of H2SO4 were transferred to NH3 and H2O, respectively. The NH4+ and HSO4− formed a contact ion-pair [NH4+-HSO4−] for n = 1-6 and a solvent separated ion-pair [NH4+-H2O-HSO4−] for n = 7-9. Therefore, we observed two obvious transitions from neutral to single protonation (from H2SO4 to NH3) to double protonation (from H2SO4 to NH3 and H2O) with increasing n. In general, the structures with single protonation and solvated ion-pair were higher in entropy than those with double protonation and contact ion-pair of single protonation and were thus preferred at higher temperature. As a result, the inversion between single and double protonated clusters was postponed until n = 12 according to the average binding Gibbs free energy at the normal condition. These results can serve as a good start point for studies of the other properties of these clusters and as a model for the solvation of the [H2SO4-NH3] complex in bulk water. 相似文献
12.
Abstract The following binary systems were studied: AI2(SO4)3·16H20 - MgHPO4·3H2O and AI2(SO4)3·16H2O - Mg3(P04)2·8H20. 相似文献
13.
《Journal of solid state chemistry》1987,66(2):235-241
IR and polarized Raman spectra of K2Mg(SO4)2 · 6H2O have been recorded and analyzed. From the spectra, the vibrations due to SO2−4 ion, the complex [Mg(H2O)6]2+ and the water molecules have been identified. The splitting of the nondegenerate ν1 mode of the SO2−4 ion indicates the presence of a factor group interaction between vibrating ions in the crystal. It has been inferred that the angular distortion of SO2−4 is greater than the bond distortion. Separate bands for the three different water molecules have been observed. 相似文献
14.
Zr(SO4)2·4H2O的层状结构、插层及催化性能 总被引:19,自引:1,他引:19
利用XRD,TPDE,PED和TG-DTA等为主要研究手段,深入分析了Zr(SO4)2·4H2O的层状结构特性和插层性能,并以乙酸与乙二醇单醚的酯化反应普目标反应考察了其催化性能。研究结果表明:Zr(SO4)2·4H2O是一种具有中等强度酸性的层状化合物,位于层间的结晶水是产生B酸中心的来源;有机胺类分子具有较强的插层能力,胺的插入可将层板撑开并使层间距增大,从而进一步证实存在层间结晶水所产生的B 相似文献
15.
《Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy》1980,36(4):425-431
The Raman spectra of oriented single crystals of cerium sulfate enneahydrate and that of its fully deuterated analogue are reported and compared. The role of the two types of lattice water molecules have been determined from the geometries of their immediate environments and consequent vibrational properties. The data obtained are subjected to certain geometric criteria to determine the orientations of the H2O(C1) and H2O(Cs) molecules consistent with optimum interactions with their surroundings. 相似文献
16.
Ray L. Frost Silmarilly Bahfenne 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2010,75(2):852-854
Raman spectra of coquandite Sb6O8(SO4)·(H2O) were studied, and related to the structure of the mineral. Raman bands observed at 970, 990 and 1007 cm?1 and a series of overlapping bands are observed at 1072, 1100, 1151 and 1217 cm?1 are assigned to the SO42? ν1 symmetric and ν3 antisymmetric stretching modes respectively. Raman bands at 629, 638, 690, 751 and 787 cm?1 are attributed to the SbO stretching vibrations. Raman bands at 600 and 610 cm?1 and at 429 and 459 cm?1 are assigned to the SO42? ν4 and ν2 bending modes. Raman bands at 359 and 375 cm?1 are assigned to O–Sb–O bending modes. Multiple Raman bands for both SO42? and SbO stretching vibrations support the concept of the non-equivalence of these units in the coquandite structure. 相似文献
17.
Ray L. Frost Eloise C. Keeffe Silmarilly Bahfenne 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2010,75(5):1476-1479
Raman spectra of mineral peretaite Ca(SbO)4(OH)2(SO4)2·2H2O were studied, and related to the structure of the mineral. Raman bands observed at 978 and 980 cm?1 and a series of overlapping bands observed at 1060, 1092, 1115, 1142 and 1152 cm?1 are assigned to the SO42? ν1 symmetric and ν3 antisymmetric stretching modes. Raman bands at 589 and 595 cm?1 are attributed to the SbO symmetric stretching vibrations. The low intensity Raman bands at 650 and 710 cm?1 may be attributed to SbO antisymmetric stretching modes. Raman bands at 610 cm?1 and at 417, 434 and 482 cm?1 are assigned to the SO42? ν4 and ν2 bending modes, respectively. Raman bands at 337 and 373 cm?1 are assigned to O–Sb–O bending modes. Multiple Raman bands for both SO42? and SbO stretching vibrations support the concept of the non-equivalence of these units in the peretaite structure. 相似文献
18.
《Journal of Coordination Chemistry》2012,65(22):3871-3879
The syntheses and crystal structures of the closely related but non-isostructural Cd2(C19H21N3O3F)4(H2O)2?·?4H2O (1) and Pb2(C19H21N3O3F)4?·?4H2O (2) are described, where C19H21N3O3F? is enrofloxacinate (enro). Both compounds contain centrosymmetric, binuclear, neutral complexes incorporating a central diamond-shaped M2O2 (M?=?Cd, Pb) structural unit. The Cd2+ coordination polyhedron in 1 is a CdO6 trigonal prism, including one coordinated water. The Pb2+ coordination polyhedron in 2 can be described as a very distorted square-based PbO5 pyramid, although two additional short Pb?···?O (<3.1?Å) contacts are also present. In the crystal of the cadmium complex, O–H?···?O hydrogen bonds lead to a layered structure. In the lead compound, O–H?···?O and O–H?···?N interactions lead to chains in the crystal. Crystal data: 1: C76H96Cd2F4N12O18, M r?=?1766.45, triclinic, P 1, a?=?12.185(2)?Å, b?=?12.306(3)?Å, c?=?14.826(3)?Å, α?=?68.15(3)°, β?=?70.28(3)°, γ?=?86.11(3)°, V?=?1938.2(7)?Å3, Z?=?1, T?=?298 K, R(F)?=?0.030, wR(F 2)?=?0.079. 2: C76H88F4N12O16Pb2, M r?=?1920.00, triclinic, P 1, a?=?12.0283(4)?Å, b?=?12.7465(4)?Å, c?=?13.0585(4)?Å, α?=?83.751(1)°, β?=?74.635(1)°, γ?=?81.502(1)°, V?=?1904.3(1)?Å3, Z?=?1, T?=?298?K, R(F)?=?0.021, wR(F 2)?=?0.049. 相似文献
19.
M. S. Fonar’ Yu. A. Simonov G. Bogelly é. V. Ganin V. O. Gelmboldt 《Journal of Structural Chemistry》1999,40(6):926-930
The molecular and crystal structure of the title complex (I) obtained by addition of tin fluoride in a hydrofluoric acid solution to 18-crown-6 in methanol was investigated by X-ray structure analysis. The crystals are monoclinic, space group P21/n, a = 13.497(3), b = 7.806(2), c = 9.892(2) Å, β = 95.57(3)°, Z = 2 for C12H32F4O10Sn. In the polymer chain, the crown ether molecules alternate with the inorganic complexes [trans-SnF4(H2O)2] and are linked to them by O-H...O type hydrogen bonds involving the intermediate water molecules. The weak C-H...F interactions bind the chains into the layers which are parallel to the xz plane. 相似文献
20.
《Solid State Sciences》2000,2(1):109-118
Y(OH)(SO4), Y(SO4)F, YNi(OH)3(SO4)-II and Y2Cu(OH)3(SO4)2F·H2O are obtained from hydrothermal reactions at 380°C under a pressure of 210 MPa. Their crystal structures were refined from single-crystal X-ray diffraction data. The four compounds have the following space groups and unit cells: Y(OH)(SO4), P21/n, a=7.9498(6), b=10.9530(9), c=8.1447(6) Å, β=93.764(1)°; Y(SO4)F, Pnma, a=8.3128(9), b=6.9255(7), c=6.3905(7) Å; YNi(OH)3(SO4)-II, Pnma, a=6.9695(8), b=7.2615(8), c=10.292(1) Å; Y2Cu(OH)3(SO4)2F·H2O, P21/n, a=11.6889(7), b=6.8660(4), c=12.5280(8) Å, β=97.092(1)°. The coordination environments of the yttrium atoms in the four structures vary from highly irregular 6+2, 6+3, 7+1 coordination polyhedra to relatively regular dodecahedra. 相似文献