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Nizovtsev A.S.,RAS Nikolaev Institute of Inorganic Chemistry
Journal of Computational Chemistry | Year: 2013

We report detailed study focused on the electron density redistribution during the simple oxidative addition reaction being the crucial stage of various catalytic processes. The bonding evolution theory based on the electron localization function and Thom's catastrophe theory shows that activation of methane's CH bond by Pd atom consist of six elementary steps. The important feature revealed is the pronounced reorganization of Pd's outer core maxima corresponding to N-shell electrons of metal. Electronic rearrangements identified in this model reaction are likely to be the case in the more complex reactions of the same type involving transition metal compounds and, in principle, can be observed by modern ultrafast spectroscopy and diffraction techniques. © 2013 Wiley Periodicals, Inc.

Smolyakov B.S.,RAS Nikolaev Institute of Inorganic Chemistry
Applied Geochemistry | Year: 2012

The removal efficiency of water hyacinth for Zn, Cu, Pb and Cd after their entry into an undisturbed fresh water body was studied using minicosms placed within a reservoir. Variable parameters were water pH (6 or 8), single or multi-metal additions, and the plant biomass. The initial concentrations of Zn, Cu, Pb and Cd in water (500, 250, 250 and 50 μg/L, respectively) quickly decreased in the order Pb ≈ Cu ≫ Cd ≈ Zn in the first days. Metal removal was more efficient at pH 8 than at pH 6, and it was only slightly higher for single metals compared to multi-metal additions. After 8. days the remaining amounts of metals relative to their initial concentrations for multi-metal pollution treatments were 8% and 24% (Cu), 11% and 26% (Pb), 24% and 50% (Cd), and 18% and 57% (Zn) at pH 8 and pH 6, respectively. Increasing plant biomass promoted faster metal removal. The bioconcentration factor (the ratio of the metal concentration in whole plants to the initial metal concentration in water) exceeds 2000 for all metals (with the exception of Zn and Cd at pH 6). It was concluded that the water hyacinth can be successfully used for fast removal of metals in the initial stage of water body remediation. © 2012 Elsevier Ltd.

Lavrenova L.G.,RAS Nikolaev Institute of Inorganic Chemistry | Shakirova O.G.,Komsomolsk-on-Amur State Technical University
European Journal of Inorganic Chemistry | Year: 2013

We review herein the synthesis and investigation of iron(II) coordination compounds with 1,2,4-triazoles or tris(pyrazol-1-yl)methanes as ligands. Both groups of complexes demonstrate thermally induced spin crossover accompanied by thermochromism [pink (magenta) ↔white color change]. Factors that influence the nature and temperature of the spin crossover are discussed. © 2013 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Larionov S.V.,RAS Nikolaev Institute of Inorganic Chemistry
Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya | Year: 2012

Some problems of the chemistry of coordination metal compounds with chiral ligands based on natural organic compounds, especially terpenes, are generalized. The results on the synthesis and study of the structure and properties of the chiral transition metal complexes with several groups of new "hybrid" ligands based on monoterpenes pinene, (+)-3-carene, and limonene and sesquiterpene caryophyllene are considered. © 2012 Pleiades Publishing, Ltd.

Danylyuk O.,Polish Academy of Sciences | Fedin V.P.,RAS Nikolaev Institute of Inorganic Chemistry
Crystal Growth and Design | Year: 2012

The crystal structure of the supramolecular exclusion complexes of cucurbit[6]uril with amino acid D-tryptophan and its decarboxylation product tryptamine have been determined. The supramolecular self-Assembly of the cucurbit[6]uril with aromatic guests is guided by the combination of ion-dipole, hydrogen bonding, and stacking interactions between indole rings and glycouril groups of cucurbit[6]uril and leads to the formation of helical nanotubules in the case of tryptophan and stacked columns in the case of tryptamine. The formation of the solid-state complexes is dependent on the type of salt used for solubilization of cucurbit[6]uril which is explained in terms of the specific coordination mode of cucurbit[6]uril with magnesium ion. © 2011 American Chemical Society.

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