Synthesis,X-ray structure and theoretical study of benzazole thioether and its zinc complex as corrosion inhibitors for steel in acidic medium

A ligand, 2-((benzo[d]thiazol-2-ylthio)methyl)-1H-benzo[d]imidazole, and its zinc complex have been synthesized. The structure of these compounds have been determined by spectroscopic techniques and single crystal X-ray diffraction. The corrosion inhibition study of these compounds for steel in 0.5 M H₂SO₄ medium has also been investigated using potentiodynamic polarization and EIS techniques. The quantum calculations were applied to investigate the relationship between the electronic properties and the corrosion inhibition efficiency of the two benzazoles derivatives. Surface analysis (XRF) indicated that the rust layer formed on the Cu-containing steels was enriched with Cu compounds. Polarization curves revealed that both inhibitors acted as a mixed-type inhibitor.     

Erratum to: Synthesis,X-ray structure and theoretical study of benzazole thioether and its zinc complex as corrosion inhibitors for steel in acidic medium

Research on Chemical Intermediates -     

Synthesis growth and optical properties of semi organic non linear optical single crystal

A new and efficient semi organic nonlinear optical crystal from the amino acid family has been grown by slow evaporation technique from aqueous solution. The crystals structures were solved by direct methods using SIR92 (WINGX) and refined by a full matrix least-square method using SHELXL97. All this compounds crystallized in noncentrosymetric groups. Second harmonic generation measurements were performed by applying the Kurtz and Perry model, to powder samples of compounds at 1,064 nm.     

Structural characterization of a new cobalt(II) complex of 1-benzyl-5-methyl-1<Emphasis Type="Italic">H</Emphasis>-imidazole

The preparation of a cobalt(II) chloride complex with a N-donor ligand 1-benzyl-5-methyl-1H-imidazole of formula [CoCl₂(1-benzyl-5-methyl-1H-imidazole)₂] is described. The isolated complex was characterized by UV, IR spectroscopy and crystallographic studies. Single crystal X-ray diffraction analysis of the complex reveals its monomeric tetra-coordinated nature. The coordination polyhedron around the cobalt center can be described as a quasi-regular tetrahedron. The Co–N distances for this compound are 2.0111(17) Å and 2.0118(17) Å, while the Co–Cl distances are 2.2582(7) Å and 2.2549(7) Å. The crystal packing can be described as layers parallel to (101) plane alternating along the b axis, and it is stabilized by π–π stacking between the imidazole and phenyl rings. The shortest centroid–centroid distance is 3.6002(14) Å.     

Investigation of crystal structure and nonlinear optical properties of 2-methoxyanilinium nitrate

Single crystals of a new hybrid compound salt: 2-methoxyanilinium nitrate were prepared by slow evaporation at room temperature of diluted aqueous solutions containing 2-methoxyaniline with nitric acids. The compound crystallizes in a space group Pcab of orthorhombic system with cell parameters a = 8.8784 (6) Å, b = 10.6348 (7) Å, c = 18.3045 (7) Å, V = 1728.31 (17) ų at T = 100 K and Z = 8. The structure has been refined to an R-value of 0.044 for 1956 observed reflections using three-dimensional X-ray diffraction data. Third-order nonlinear optical susceptibility (χ^〈3〉) was measured by degenerate four wave mixing (DFWM) method at 532 nm. Third harmonic generation (THG) measurements at the 1064 nm were carried out for the 2-methoxyanilinium nitrate crystal with the following dimensions: 4 × 9 × 0.5 mm.     

Chemical Preparation,Spectroscopic Study and Crystal Structure of DL 2-Ammoniumbutyric Dihydrogenmonophosphate ({\rm CH_3CH_2CHCOOH)(H_2PO_4)^{\hbox{\bf --}}}\vspace*{-2pt}\break\hspace*{-26pt}|\hspace*{26pt}\break\hspace*{-24pt}{^{\bm +}}{\rm NH_3}\hspace*{24pt}}

Crystals of DL 2-ammoniumbutyric dihydrogenmonophosphate were obtained by evaporating an aqueous solution containing equimolar quantities of DL 2-amino butyric and orthophosphoric acids. IR and NMR spectrometry studies has been investigated and confirmed by X-ray single crystal diffraction results. The title compound is monoclinic, space group P2 1 /c, unit cell dimensions a = 10.5450(3) Å, b = 10.0486(3) Å, c = 8.9526(4) Å, g = 111.769(5);. Using 1,303 reflections with I > 3 (I) measured on CAD4 Mach 3 diffractometer, the crystal structure was solved by direct methods and was refined by least squares full matrix procedures to R = 0.038. The main feature of this structure consists of an alternate stacking of H 2 PO 4 m tetrahedral sheets and NH 3 C 3 H 6 COOH + cation layers. The H 2 PO 4 m groups are associated to form infinite chains [(H 2 PO 4 )n] n m . The crystal structure is stabilized by a three-dimensional network of strong hydrogen bonds.