MF2 vibrations and librations of water molecules in the series MF2·4H2O (M = Fe, Co, Ni or Zn)

Swanepoel, J.; Heyns, A.M.

doi:10.1016/0584-8539(90)80275-4

Cited by 4 publications

(1 citation statement)

References 11 publications

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“…Its analog in the spectrum of the uranyl complex (at 842 cm -1 ) was assigned to γ(CH) bending vibrations. This band, however, is probably composite and characterizes not only the vibrations of the methine group of the aromatic ring, but also the libration vibrations of water molecules, which can account for its high intensity [43]. …”

Section: Absorption Spectra Of Crystalline Complexesmentioning

confidence: 99%

Synthesis, crystal structure, and spectra of the Np(V) terephthalate [C(NH2)3]3[NpO2(C6H4(COO)2)2]·5H2O and An(VI) terephthalates [AnO2(C6H4(COO)2)] (An = U, Np, Pu)

2015

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The structure and spectra of the Np(V) terephthalate [C(NH 2 ) 3 ] 3 [NpO 2 (C 6 H 4 (COO) 2 ) 2 ]·5H 2 O (I) and An(VI) terephthalates [AnO 2 (C 6 H 4 (COO) 2 )] (II), where An = U, Np, or Pu, were studied. The crystal structure of I is build of NpO 2 + cations and terephthalate anions linked with each other in infinite anionic chains [NpO 2 (C 6 H 4 (COO) 2 ) 2 ] n 3-, with the water molecules and guanidinium cations arranged between them. The Np atom has the coordination surrounding in the form of a hexagonal bipyramid whose equatorial plane is formed by the O atoms of three [C 6 H 4 (COO) 2 ] 2-anions. There are two independent [C 6 H 4 (COO) 2 ] 2-anions in the structure. One of them is bidentate chelating, and the other is chelating and bridging, with both of its carboxylate groups bonded to the NpO 2 + cations in the anionic chains in the bidentate fashion. Five crystallographically independent water molecules are localized in the structure of I. Together with the [C(NH 2 ) 3 ] + cations, these water molecules form a three-dimensional system of hydrogen bonds. The crystal structure of II is built of neutral [AnO 2 (C 6 H 4 (COO) 2 )] n layers formed by the AnO 2 2+ cations and terephthalate anions. The An(VI) atom has the coordination surrounding in the form of a tetragonal bipyramid whose equatorial plane is formed by the O atoms of four [C 6 H 4 (COO) 2 ] 2-anions. The IR and electronic absorption spectra of the compounds are presented.Synthesis of new organometallic compounds of f elements with the framework structure is a promising line of the modern chemistry. According to the results of recent studies, such compounds exhibit unique physicochemical properties, in particular, high porosity and high specific surface area, and are therefore promising for use, e.g., in catalysis, in gas treatment, for hydrogen storage, etc. Relatively successful attempts to summarize the results obtained and use them for passing to directional synthesis of compounds with preset properties have been made for d elements [1]. Numerous papers on the synthesis, structure, and properties of complexes of actinyl ions with different isomers of benzenedicarboxylic acid have been published recently. The behavior of Pu(V) in aqueous solutions containing anions of benzene-1,2-dicarboxylic (phthalic) acid has been studied in detail [2]. Also, new

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Section: Absorption Spectra Of Crystalline Complexesmentioning

confidence: 99%

Synthesis, crystal structure, and spectra of the Np(V) terephthalate [C(NH2)3]3[NpO2(C6H4(COO)2)2]·5H2O and An(VI) terephthalates [AnO2(C6H4(COO)2)] (An = U, Np, Pu)

2015

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Hydrogen bonds determine the structures of the ternary heterocyclic complexes C2H4O···2HF, C2H5N···2HF and C2H4S···2HF: density functional theory and topological calculations

et al. 2011

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A theoretical study of structural, electronic, topological and vibrational parameters of the ternary hydrogen-bonded complexes C(2)H(4)O···2HF, C(2)H(5)N···2HF and C(2)H(4)S···2HF is presented here. Different from binary systems with a single proton donor, the tricomplexes have the property of forming multiple hydrogen bonds, which are analyzed from a structural and vibrational point of view, but verified only by means of the quantum theory of atoms in molecules (QTAIM). As traditionally done in the hydrogen bond theory, the charge transfer between proton donors and acceptors was computed using the CHELPG calculations, which also revealed agreement with dipole moment variation and a cooperative effect on the tricomplexes. Furthermore, redshift events on proton donor bonds were satisfactorily identified, although, in this case, an absence of experimental data led to the use of a theoretical argument to interpret these spectroscopic shifts. It was therefore the use of the QTAIM parameters that enabled all intermolecular vibrational modes to be validated. The most stable tricomplex in terms of energy was identified via the strength of the hydrogen bonds, which were modeled as directional and bifurcated.

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An infrared study of the stretching modes of the water molecules in ZnF2·4H2O

Swanepoel

Heyns

1991

Spectrochimica Acta Part A: Molecular Spectroscopy

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MF2 vibrations and librations of water molecules in the series MF2·4H2O (M = Fe, Co, Ni or Zn)

Cited by 4 publications

References 11 publications

Synthesis, crystal structure, and spectra of the Np(V) terephthalate [C(NH2)3]3[NpO2(C6H4(COO)2)2]·5H2O and An(VI) terephthalates [AnO2(C6H4(COO)2)] (An = U, Np, Pu)

Synthesis, crystal structure, and spectra of the Np(V) terephthalate [C(NH2)3]3[NpO2(C6H4(COO)2)2]·5H2O and An(VI) terephthalates [AnO2(C6H4(COO)2)] (An = U, Np, Pu)

Hydrogen bonds determine the structures of the ternary heterocyclic complexes C2H4O···2HF, C2H5N···2HF and C2H4S···2HF: density functional theory and topological calculations

An infrared study of the stretching modes of the water molecules in ZnF2·4H2O

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