Preparation and Characterisation of the Cyano-Bridged Transition Metal Complexes Using N,N-Diethyl Thiourea as a Ligand

ABSTRACT New cyano bridged transition metal complexes, [Cu(detu)4Ni(CN)4]-2H2O (1) and [Zn(H2O)(detu)Ni(CN)4]-2H2O (2) (detu = N, N' diethyl thiourea) have been synthesised in powder form. Their structures were illuminated by using spectroscopic, thermal and elemental analysis techniques. The nickel atom exhibits square planar geometry in these complexes by coordinating with the cyano group's nitrogen atoms. The copper atom of 1 is six coordinated with two bridging cyano groups and four detu ligands. In contrast, the zinc atom of 2 is six coordinated with four bridging cyano groups, one detu ligand and one aqua ligand. In addition, the structure of 2 is formed from polymeric layers of |Zn-Ni(CN)41 „ with the detu and aqua ligands bonded to the zinc atom. Thermal stabilities and decomposition products of 1 and 2 were examined in the static air atmosphere between 30 and 900 °C. Keywords: btetracyanonickelate(II) complex, N,N'-diethyl thiourea, cyano-bridged complex, vibration spectra, thermal analysis.

The First Nickelacarborane with closo-nido Structure

The first nickelacarborane with closo-nido structure [10′,11′-(Py)2-3,9′-Ni(1,2-C2B9H11)(7′,8′-C2B8H8)] was isolated from the reaction of nickel(IV) bis(dicarbollide) with pyridine. The molecular structure of this complex was determined by single crystal X-ray diffraction. The nickel atom is a common vertex for the closo-NiC2B9 cluster and the nido-NC2B8 cluster where it is located together with carbon atoms in the open NiC2B2 pentagonal face. It is assumed that its formation proceeds through the nucleophile-induced removal of the B(6)H vertex followed by rearrangement of the forming 11-vertex cluster, which most likely proceeds through a sequence of closing and opening reactions.

Dichloridobis[2-(pyridin-2-yl-κN)-1H-benzimidazole-κN 3]nickel(II) monohydrate

In the title complex, [NiCl2(C12H9N3)2]·H2O, a divalent nickel atom is coordinated by two 2-(pyridin-2-yl)-1H-benzimidazole ligands in a slightly distorted octahedral environment defined by four N donors of two N,N′-chelating ligands, along with two cis-oriented anionic chloride donors. The title complex crystallized with a water molecule disordered over two positions. In the crystal, a combination of O—H...Cl, O—H.·O and N—H...Cl hydrogen bonds, together with C—H...O, C—H...Cl and C—H...π interactions, links the complex molecules and the water molecules to form a supramolecular three-dimensional framework. The title complex is isostructural with the cobalt(II) dichloride complex reported previously [Das et al. (2011). Org. Biomol. Chem. 9, 7097–7107].

Selective Hydrogenation of Acetylene Catalysed by a B12N12 Cluster Doped with a Single Nickel Atom: A DFT Study

To obtain a catalyst based on a non-precious metal that can replace traditional palladium-based selective catalysts of acetylene hydrogenation, the catalytic performances of two different configurations of a B12N12 cluster doped with a single nickel atom were studied by a density functional theory computational approach. After analysing the effect that the adsorption of reactants onto the clusters has on the reaction path, we determined the lowest energy path for the acetylene double hydrogenation. Comparing the acetylene hydrogenation activities and ethylene product selectivities of the B11N12Ni and B12N11Ni clusters, which have different doping sites, we determined the activities of these two catalysts to be similar to each other; however, the B11N12Ni cluster was calculated to have higher selectivity for ethylene as a product. This difference may be related to the moderate adsorption of hydrogen and acetylene on the B11N12Ni cluster. As a new type of nickel-based single-atom catalyst, B11N12Ni clusters may have research value in the selective hydrogenation of acetylene.

EFFECTS OF Pd2+ CONCENTRATION ON THE STRUCTURAL PROPERTY OF NICKEL-PLATED PLANT FIBER NON-WOVEN SHEET

In this work, a facile method combined with PdCl2 solution immersing and electroless deposition to fabricate nickel-plated plant fiber non-woven sheet is demonstrated. The effect of [Formula: see text] concentration on the structural property of plated sheet was investigated using X-ray photoelectron spectroscopy, X-ray diffraction and scanning electron microscopy. Results showed that increasing activated time and PdCl2 concentration would facilitate the enhancement of Pd-adsorbed amount on the substrate surface. It would facilitate the deposition of nickel atom, the reduction of the surface electrical resistivity and the crystallization of plated coating due to the high catalytic sites. In addition, the lowest PdCl2 effective concentration was reduced with the increased of activated time.

A novel ligand transfer reaction: Transferring an N3-donor amine ligand from Ni(II) to Cu(II)—structural, spectral, theoretical, and docking studies

Two complexes of N1-(2-aminoethyl)propane-1,3-diamine (AEPD), [Ni(AEPD)2](NO3)2 (1) and [Cu2( μ-Cl)2(AEPD)2](NO3)2·2H2O (2), are prepared and identified by elemental analysis, Fourier transform infrared spectroscopy and UV–Vis spectroscopy, and single-crystal X-ray diffraction (for 2). Spectral and structural data reveal that the AEPD ligand transfers from nickel to copper in the reaction between 1 and copper chloride. All coordination modes of the AEPD-based ligands are studied by analysis of the Cambridge Structural Database. The nickel atom in 1 has octahedral geometry (NiN6) while X-ray structure analysis revealed that the copper atom in the binuclear structure of 2 has an elongated square-pyramidal geometry with a CuN3OCl2 environment. In the crystal network of 2, water molecules and cationic complex units along with the nitrate ions form different hydrogen bond motifs. The thermodynamic stability of the compounds and their charge distribution patterns is studied by density functional theory and natural bond orbital analysis. The ability of AEPD and its complexes to interact with 10 selected biomacromolecules is investigated by docking calculations.