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1 INTRODUCTION The polydentate ligand nitrilotripropionic acid, H3ntp[N(CH2CH2COOH)3], has attracted conside- rable research interest in constructing coordination polymers, designing organic-inorganic hybrid mate- rials[1], synthesizing supramolecular compounds[2], etc. due to its high degree of flexibility with three carboxylic acid moieties allowing for a variety of coordination through oxygen atoms[3]. It also pro- vides other versatile properties such as the possibili- ty of inter-…  相似文献   

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The OH stretch IR spectrum of (H2O)3 is significantly altered upon complexation of the cluster with a benzene molecule. Theoretical calculations show that the differences in the OH stretch spectra of (H2O)3 and benzene-(H2O)3 are primarily due to mode localization induced by the benzene molecule. Received: 27 January 1997 / Accepted: 28 January 1997  相似文献   

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Crystal Structure of (NMe4)2[Re3Br11(H2O)] [Re3Br9(H2O)3](H2O)2 . (NMe4)2[Re3Br11(H2O)] [Re3Br9(H2O)3](H2O)2 crystallizes from hydrobromic acid solution of Re3Br9 · 2 H2O and NMe4Br at 0 – 5°C. The crystal structure (monoclinic; P21/m (Nr. 11); a = 967.9(3); b = 1 529.7(4); c = 1 710.9(4) pm; β = 91.66(2)°; Z = 2; R = 0.113; Rw = 0.068) has been determined from four-circle diffractometer data. The structure contains two different cluster units of trivalent rhenium, isolated anionic [Re3Br11(H2O)]2? units and neutral cluster units that are connected through crystal water molecules to chains{[Re3Br9(H2O)3](H2O)2}.  相似文献   

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Crystal Structure of Sr(BrO3)2 · H2O, Ba(BrO3)2 · H2O, Ba(IO3)2 · H2O, Pb(ClO3)2 · H2O, and Pb(BrO3)2 · H2O The crystall structures of the isostructural halates Sr(BrO3)2 · H2O, Ba(BrO3)2 · H2O, Ba(IO3)2 · H2O, Pb(ClO3)2 · H2O, and Pb(BrO3)2 · H2O were determined using X-ray single crystal data (monoclinic space group C2/c? C, Z = 4), The mean bond lengths and bond angles of the halate ions in the Ba(ClO3)2 · 1 H2O-type compounds, which correspond to those of other halates, are Cl? O, 149.0, Br? O, 165.9, I? O, 180.2 pm, ClO3?, 106.4, BrO3?, 104.0, and IO3?, 99.6°. The structure data obtained are discussed in terms of possible orientational disorder of the water molecules, strengths of the hydrogen bonds, influence of the lead ions on the structure, and site group distortion of the halate ions.  相似文献   

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The IR and Raman spectra and the thermal behaviour of the isomorphous compounds (NH4)3Ga(C2O4)3·3H2O and (NH4)3Al(C2O4)3·3H2O were investigated. Detailed stoichiometries, sustained by TG, DTA and IR spectroscopic analyses, were found in both cases. Different results, associated with the different polarizing powers of the metal cations, were obtained. The first evidence was found of the formation of basic gallium carbonates.  相似文献   

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Raman and FTIR spectra of [Cu(H2O)6](BrO3)2 and [Al(H2O)6](BrO3)3 x 3H2O are recorded and analyzed. The observed bands are assigned on the basis of BrO3- and H2O vibrations. Additional bands obtained in the region of v3 and v1 modes in [Cu(H2O)6](BrO3)2 are due to the lifting of degeneracy of v3 modes, since the BrO3- ion occupies a site of lower symmetry. The appearance v1 mode of BrO3- anion at a lower wavenumber (771 cm(-1)) is attributed to the attachment of hydrogen to the BrO3- anion. The presence of three inequivalent bromate groups in the [Al(H2O)6](BrO3)3 x 3H2O structure is confirmed. The lifting of degeneracy of v4 mode indicates that the symmetry of BrO3- anion is lowered in the above crystal from C3v to C1. The appearance of additional bands in the stretching and bonding mode regions of water indicates the presence of hydrogen bonds of different strengths in both the crystals. Temperature dependent Raman spectra of single crystal [Cu(H2O)6](BrO3)2 are recorded in the range 77-523 K for various temperatures. A small structural rearrangement takes place in BrO3- ion in the crystal at 391 K. Hydrogen bounds in the crystal are rearranging themselves leading to the loss of one water molecule at 485 K. This is preceded by the reorientation of BrO3- ions causing a phase transition at 447 K. Changes in intensities and wavenumbers of the bands and the narrowing down of the bands at 77 K are attributed to the settling down of protons into ordered positions in the crystal.  相似文献   

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The design and synthesis of organic-inorganichybrid compounds have aroused contemporary inter-est;not only owing to their diverse structures,but alsoto their potential applications in fields such as catal-ysis,medicine,analytical chemistry and photochem-i…  相似文献   

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用水热法合成了3,5-二氨基苯甲酸与Nd(Ⅲ)的配合物Nd(C7H7N2O2)3(H2O)3(1),其结构经IR,元素分析和X-射线单晶衍射仪表征。1为单核结构,属六方晶系,R3空间群,晶胞参数:a=1.887 29(18)nm,b=1.887 29(18)nm,c=0.603 53(12)nm,β=90,°γ=120°,V=1.861 7(4)nm3,Z=3,μ=2.154 mm-1,Dc=1.744 g.cm-3,R1=0.014 3,wR2=0.033 2。1中Nd(Ⅲ)与来自3个3,5-二氨基苯甲酸的6个氧原子及3个配位水的氧原子进行配位,形成9配位化合物。  相似文献   

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Three metal molybdate hydrates,Fe(H2O)2(MoO4)2·H3O(FeMo),NaCo2(MoO4)2(H3O2)(CoMo)and Mn2(MoO4)3·2H3O(MnMo),were synthesized by the mixed-solvent-thermal methods and characterized by singlecrystal X-ray...  相似文献   

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The crystal and molecular structure of dipotassium di‐μ‐oxo‐bis[aqua(oxalato‐O1,O2)oxomolybdenum(III)] trihydrate, K2­[Mo2O4(C2O4)2(H2O)2]·3H2O, has been determined from X‐ray diffraction data. In the dimeric anion, which has approximate twofold symmetry, each Mo atom is in a distorted octahedral coordination, being bonded to one terminal oxo‐O atom, two bridging O atoms, two O atoms from the oxalato ligand and one from the water mol­ecule. Bond lengths trans to the multiple‐bonded terminal oxo ligand are larger than those in the cis position, confirming the trans influence as a generally valid rule.  相似文献   

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(H3O)Nd(SO4)2     
The crystal structure of oxonium neodymium bis(sulfate), (H3O)Nd(SO4)2, shows a two‐dimensional layered framework assembled from SO4 tetrahedra and NdO9 tricapped trigonal prisms. One independent sulfate group makes four S—O—Nd linkages, while the other makes five such connections to generate an unprecedented anhydrous anionic [Nd(SO4)2] layer. To achieve charge balance, H3O+ cations are inserted between adjacent layers where they participate in hydrogen‐bonding interactions with the sulfate O atoms of adjacent layers.  相似文献   

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