A theoretical study on the adsorption of dichlorodiphenyltrichloroethane (DDT) on graphitic carbon nitride (g-C3N4) and g-C3N4 modified with cluster Ni2

A robust and accurate tight-binding quantum chemical method was performed to study adsorption process of dichlorodiphenyltrichloroethane (DDT) on graphitic carbon nitride (g-C3N4) and g-C3N4 modified with nickel cluster (Ni2). The adsorption energy, charges on atoms, bond orders have been calculated and analysed. The obtained results indicate that the adsorption of DDT on the pristine g-C3N4 is physical of nature. Ni2 cluster can be easily doped on g-C3N4 due to the formation of chemical bonds. The Ni2-g-C3N4 system exhibits enhanced adsorption ability for DDT.

Studies of polymerization of α-olefins carried out with a tri-nuclear nickel cluster.

Green coloured crystals of μ3-chloro-μ3-hydroxotris (μ-chloro) tris(N,N,N’,N’ –tetramethyl ethylene-1,2-diamine) trinickel(II) chloride (1) were synthesized and used as a pre-catalyst, along with methylaluminoxane (MAO) as an initiator, to polymerize styrene and methyl methacrylate. Polystyrene prepared from these Ni catalyzed reactions are highly syndiotactic with some atactic nature. Blue coloured acetonitriletri(aqua) (N,N,N’N’ -tetramethylethylenediamine) nickel (II) chloride (2) has also been synthesized and structurally characterized by X-ray crystallography. Co-polymerization of methyl methacrylate and styrene was also successfully carried out with the MAO-activated 1. The polymerization kinetics of styrene was studied by molecular weight analysis. Effects of changing the temperature and monomer concentration on the polymerization would be discussed. Polymerization carried out in homogeneous fashion and a mixed system containing both heterogeneous and homogeneous system will also be discussed.

Studies of polymerization of α-olefins carried out with a tri-nuclear nickel cluster.

Green coloured crystals of μ3-chloro-μ3-hydroxotris (μ-chloro) tris(N,N,N’,N’ –tetramethyl ethylene-1,2-diamine) trinickel(II) chloride (1) were synthesized and used as a pre-catalyst, along with methylaluminoxane (MAO) as an initiator, to polymerize styrene and methyl methacrylate. Polystyrene prepared from these Ni catalyzed reactions are highly syndiotactic with some atactic nature. Blue coloured acetonitriletri(aqua) (N,N,N’N’ -tetramethylethylenediamine) nickel (II) chloride (2) has also been synthesized and structurally characterized by X-ray crystallography. Co-polymerization of methyl methacrylate and styrene was also successfully carried out with the MAO-activated 1. The polymerization kinetics of styrene was studied by molecular weight analysis. Effects of changing the temperature and monomer concentration on the polymerization would be discussed. Polymerization carried out in homogeneous fashion and a mixed system containing both heterogeneous and homogeneous system will also be discussed.

Two novel nickel cluster substituted polyoxometalates: syntheses, structures and their photocatalytic activities, magnetic behaviors, and ion-conduction properties

Two novel nickel cluster substituted polyoxometalates (POMs), H7Na19(H2O)26{Ni12(OH)9(PO4)4(A-α-SiW9O34)[W4O10(OH)(PO2(OH)2)2(A-α-SiW9O34)2]}·4C2H8N·27H2O (1) and H26.5K2.5Na(H2O)16[Ni6(OH)(BO3)2(dien)2(B-α-SiW10O37)2}2·24H2O (2) (dien = diethylenetriamine), have been successfully prepared. 1 is a Ni12-substituted POM comprised of a novel {Ni12(OH)9(PO4)4} core,...

CO2 Derivatives of Molecular Tin Compounds. Part 1: Hemicarbonato and Carbonato Complexes

This review focuses on organotin compounds bearing hemicarbonate and carbonate ligands, and whose molecular structures have been previously resolved by single-crystal X-ray diffraction analysis. Most of them were isolated within the framework of studies devoted to the reactivity of tin precursors with carbon dioxide at atmospheric or elevated pressure. Alternatively, and essentially for the preparation of some carbonato derivatives, inorganic carbonate salts such as K2CO3, Cs2CO3, Na2CO3 and NaHCO3 were also used as coreagents. In terms of the number of X-ray structures, carbonate compounds are the most widely represented (to date, there are 23 depositions in the Cambridge Structural Database), while hemicarbonate derivatives are rarer; only three have so far been characterized in the solid-state, and exclusively for diorganotin complexes. For each compound, the synthesis conditions are first specified. Structural aspects involving, in particular, the modes of coordination of the hemicarbonato and carbonato moieties and the coordination geometry around tin are then described and illustrated (for most cases) by showing molecular representations. Moreover, when they were available in the original reports, some characteristic spectroscopic data are also given for comparison (in table form). Carbonato complexes are arbitrarily listed according to their decreasing number of hydrocarbon substituents linked to tin atoms, namely tri-, di-, and mono-organotins. Four additional examples, involving three CO2 derivatives of C,N-chelated stannoxanes and one of a trinuclear nickel cluster Sn-capped, are also included in the last part of the chapter.

A rod-like hexanuclear nickel cluster based on a bi(pyrazole-alcohol) ligand: structure, electrospray ionization mass spectrometry, magnetism and photocurrent response

An unusual one-dimensional zig-zag hexanuclear Ni(ii) cluster has been easily and successfully constructed using a designed multidentate pyrazole-alcohol ligand.