Copper(II) complexes of 2-amino-5-chloro-3-fluoropyridine: syntheses and magnetic properties of (3,5-FCAP)2CuX2 and (3,5-FCAPH)2CuX4

Using 2-amino-5-chloro-3-fluoropyridine, two new copper halide coordination complexes and two new salts have been synthesized: [(3,5-FCAP)₂CuCl₂] (1), [(3,5-FCAP)₂CuBr₂](2), (3,5-FCAPH)₂[CuCl₄] (3) and (3,5-FCAPH)₂[CuBr₄] (4) [3,5-FCAP?=?2-amino-5-chloro-3-fluoropyridine; 3,5-FCAPH?=?2-amino-5-chloro-3-fluoropyridinium]. These complexes have been analyzed through single-crystal X-ray diffraction and temperature-dependent magnetic susceptibility. Compounds 1 and 2 crystallize in the triclinic space group P-1, while 3 and 4 crystallize in the monoclinic space group P2₁/c. All structures were distinct, with 1 giving a bihalide bridged chain, 2 yielding a halide bridged dimer, 3 forming a two-halide bridged chain via short Cl???Cl contacts, and 4 producing a rectangular sheet via short Br???Br contacts. All four compounds exhibit anti-ferromagnetic interactions and were fit to linear chain (1 and 3), dimer (2), and rectangular 2-D sheet (4) models. The resulting J/k_B values are ?3.4(1), ?31.3(8), ?0.9(1), and ?9.46(6)?K with an α value (α?=?J?/J) of 0.06(2), respectively.     

Synthesis,Crystal Structure and Fluorescent Study of Bis(2-(2-hydroxyphenyl)benzimidazolate)zinc with Ethanol Solvate

Abstract  The zinc(II) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Zn(2-(2-hydroxyphenyl)benzimidazolate)₂]·C₂H₅OH (1 · C₂H₅OH) has been synthesized and characterized by X-ray crystallography and photoluminescent analysis. The complex crystallizes in monoclinic space group P2₁/c with cell parameters a = 10.156(1) ?, b = 25.771(3) ?, c = 9.674(1) ?, α = 90°, β = 103.641(2)°, γ = 90°, Z = 4, V = 2460.4(4) ?³. The central Zn(II) is four-coordinate and has a tetrahedral geometry. The steady-state and time-resolved photoluminescent spectra for the title compound have also been studied. The emission property can be ascribed to ligand-centered charge-transfer transition (LCCT) with π → π* property. Index Abstract   A new co-crystal of Zn(II) complex of 2-(2-hydroxylphenyl)benzimidazole with ethanol solvate has been prepared, characterized by X-ray crystallography and fluorescent studies.      

Influence of counter-anion on the coordination geometry of manganese(II) complexes with methyl-2-pyrazinecarboximidate ligand

Two new complexes of [Mn(2-MPyzCI)₂Cl₂].H²O (1) and [Mn(2-MPyzCI)₂(H₂O)₂](NO₃)₂ (2) were synthesized from the reaction of MnX₂.4H₂O (X=Cl^? and NO₃^?) with 2-cyanopyrazine in methanolic solution. The chelating methyl pyrazine-2-carboximidate (2-MPyzCI) ligand is formed via the methanolysis of 2-cyanopyrazine. Although coordination environment around manganes(II) ions is similar, but these complexes are different in geometrical position of 2-MPyzCI ligands. As both compounds are synthesized under the same reaction conditions, the only difference between these two complexes are counter ions and changing of geometrical position of ligands can be considered as a result of influence of the counter-anions on the molecular structures.     

A molecular dynamics study on melting point and specific heat of Ni<Subscript>3</Subscript>Al alloy

Using the Embedding Atom Method (EAM) for highly undercooled Ni₃Al alloy, the melting point and the specific heat were studied by a molecular dynamics simulation. The simulation of melting point was carried out by means of the sandwich method and the NVE ensemble method, and the results show a good agreement, whereas are larger than the experimental value of 1663 K. This difference is attributed to the influence of surface melting on experimental results, which causes the smaller measurements compared with the thermodynamic melting point. The simulated specific heat of Ni₃Al alloy weakly and linearly increases with the increase of undercooling in the temperature range from 800 K to 2000 K. Supported by the National Natural Science Foundation of China (Grant No. 50395101)     

Toxic effects of copper (II) ions on bovine hemoglobin

In this paper, the toxic influence of copper ions (II) on bovine hemoglobin was investigated by the combination of ultraviolet-visible absorption, fluorescence, time-resolved fluorescence, synchronous fluorescence, and circular dichroism spectra. Driven by hydrophobic and electrostatic forces, copper ions (II) could interact with bovine hemoglobin to form bovine hemoglobin-copper ions (II) complex with one binding site. The binding constant (K) was 1.57?×?10⁴, 1.89?×?10⁴ and 2.11?×?10⁴?L/mol at 298, 304, and 310?K, respectively. The binding distance (r) was 4.24?nm. Fluorescence and time-resolved fluorescence spectra showed that bovine hemoglobin quenched by copper ions (II) was a static quenching process. Results of synchronous fluorescence spectra revealed that the microenvironment and the conformation of bovine hemoglobin were changed during the binding reaction. Data of circular dichroism spectra suggested that with the increasing concentration of copper ions (II), the secondary structure of bovine hemoglobin underwent a decrease in α-helix and alteration in backbone microenvironment. Copper ions (II) was thus evidenced to have a certain toxic effect on physical bodies.     

Initial oxidation of Ni(1 1 1) observed by electron emission microscopy: PEEM and MEEM

The initial oxidation of Ni(1 1 1) in the temperature range of 550-700 K has been monitored by photoelectron emission microscopy (PEEM) and metastable-atom electron emission microscopy (MEEM). The PEEM and MEEM images show uniform patterns for the chemisorbed overlayer, reflecting the electronic homogeneity as seen at the μm scale. During the nucleation and lateral growth of oxide, however, the μm-scale pattern due to the formation of oxide domains appears and its evolution depends strongly on the substrate temperature and dose pressure of gaseous O₂. Our data indicate that the high-temperature oxidation is regarded as a successive multi-nucleation process in a reaction-diffusion field.     

Preparation of nanosized ZnO using α brass

Nanosized ZnOs were synthesized on the surface of α brass coated a film of nickel catalyst at 500-700 °C under atmosphere of O₂ and CH₄ gases. The nanosized ZnOs have shapes including pillar, leaf, sheet and rod, which were determined by the synthesis temperature and the flow rates of O₂ and CH₄ gases. The nanosized ZnOs were characterized by electron microscopy including transmission electron microscope for crystal structure, morphology and high resolution images, both field emission scanning electron microscope and scanning electron microscope for morphology, and energy dispersive X-ray spectroscope equipped in electron microscope for chemical composition. A mechanism was proposed for the growth of nanosized ZnO obtained in this work.     

Electron-cyclotron-resonance plasma heating with broadband microwave radiation: Anomalous effects

Affects of microwave bandwidth on the high-charge-states of ion beams extracted from a conventional minimum-B-geometry ECR ion source are first demonstrated. The high-charge-state intensities, produced with broadband microwave radiation are observed to be factors ?2 than those produced with narrow bandwidth microwave radiation at the same power level.     

Ag implantation-induced modification of Ni–Ti shape memory alloy thin films

Nanocrystalline thin films of Ni–Ti shape memory alloy are deposited on an Si substrate by the DC-magnetron co-sputtering technique and 120?keV Ag ions are implanted at different fluences. The thickness and composition of the pristine films are determined by Rutherford Backscattering Spectrometry (RBS). X-Ray diffraction (XRD), atomic force microscopy (AFM) and four-point probe resistivity methods have been used to study the structural, morphological and electrical transport properties. XRD analysis has revealed the existence of martensitic and austenite phases in the pristine film and also evidenced the structural changes in Ag-implanted Ni–Ti films at different fluences. AFM studies have revealed that surface roughness and grain size of Ni–Ti films have decreased with an increase in ion fluence. The modifications in the mechanical behaviour of implanted Ni–Ti films w.r.t pristine film is determined by using a Nano-indentation tester at room temperature. Higher hardness and the ratio of higher hardness (H) to elastic modulus (E_r) are observed for the film implanted at an optimized fluence of 9?×?10¹⁵ ions/cm². This improvement in mechanical behaviour could be understood in terms of grain refinement and dislocation induced by the Ag ion implantation in the Ni–Ti thin films.