Selma Gül Öztaş

Synthesis, characterization, biological activities of dimethyltin(IV) complexes of Schiff bases with ONO-type donors

Four different dimethyltin(IV) complexes of Schiff bases derived from 2-amino-3-hydroxypyridine and different substituted salicylaldehydes have been synthesized. The compounds, with the general formula [Me(2)Sn(2-OArCH=NC(5)H(3)NO)], where Ar=-C(6)H(3)(5-CH(3)) [Me(2)SnL(1)], -C(6)H(3)(5-NO(2)) [Me(2)SnL(2)], -C(6)H(2)(3,5-Cl(2)) [Me(2)SnL(3)], and -C(6)H(2)(3,5-I(2)) [Me(2)SnL(4)], were characterized by IR, NMR ((1)H and (13)C), mass spectroscopy and elemental analysis. Me(2)SnL(3) was also characterized by X-ray diffraction analysis and shows a fivefold C(2)NO(2) coordination with distorted square pyramidal geometry. H(3)C-Sn-CH(3) angles in the complexes were calculated using Lockharts equations with the (1)J((117/119)Sn-(13)C) and (2)J((117/119)Sn-(1)H) values (from the (1)H-NMR and (13)C-NMR spectra). The in vitro antibacterial and antifungal activities of dimethyltin(IV) complexes were also investigated.

Theoretical studies of organotin(IV) complexes derived from ONO-donor type schiff base ligands

In this work a molecular modeling study was carried out based on a series of organotin(IV) derivatives which were complexed with ONO-Donor type Schiff base ligands to build up a statistical data pool for researchers. For this purpose, various properties of the selected complexes such as energies, band gaps, chemical reactivity descriptors, polarizabilities, geometric parameters, 1H-NMR, 13C-NMR chemical shifting values were obtained through density functional theory using B3LYP, CAM-B3LYP, TPSSTPSS, TPSSh, HCTH, wB97XD, and MN12SX functionals. Empirical dispersion corrections were incorporated for some functionals and solvent effects were also taken into account through applying polarizable continuum model (PCM). 1H-NMR, 13C-NMR chemical shifts were calculated via linear regression analysis using either gauge invariant atomic orbital (GIAO) or continuous set of gauge transformations (CSGT) methods. While structural properties were being explored, quantitative effects of utilized functionals and empirical dispersion corrections over calculated properties were shown in detail.

Structural and spectral studies of some coordination complexes of Ni(II) with N-benzylidene-2-mercaptoaniline derivatives

Abstract Nickel(II) complexes of N -(4-bromobenzylidene)-2-mercaptoaniline, N -(4-methyl benzylidene)-2-mercaptoaniline and N -(4-methoxybenzylidene)-2-mercaptoaniline were prepared and investigated. The proposed structures for these complexes derived from the two-dimensional (2-D) NMR techniques and the infrared spectra are consistent with the X-ray powder diffraction measurements and the elemental analysis results. On the other hand, energy minimization studies of the molecules were carried out to obtain the most probable molecular conformations.

Synthesis, structure and spectroscopy of Bis(2-(2-mercaptophenyl)imino-4-pentanato) dinickel(II)

Abstract The preparation and physical and chemical properties of a square planar Ni(II) complex [Ni(C 11 H 11 NOS)] 2 containing a Schiff base ligand derived from 2,4-pentanedione and 2-aminobenzenthiol are reported. This Schiff base ligand has three potential donor atoms. The dinegative ligand of 2-(2-mercaptophenyl)imino-4-pentanone coordinates to Ni(II) as a three dentate ligand. The structure was elucidated on the basis of spectroscopic data (IR, NMR and MS) and elemental analyses. The crystal and molecular structure were also obtained by X-ray single crystal diffraction method. The structure is best described as containing two planar Ni(II) centers in NOS 2 coordination environments that share an edge formed by two bridging thiolates.

Spectral and structural studies of Ni(II) and Zn(II) complexes of N-trans-cinnamylidene-2-mercaptoaniline

Abstract Ni(II) and Zn(II) complexes of the bidentate thiol ligand N - trans -cinnamylidene-2-mercaptoaniline which is obtained from trans -cinnamaldehyde and 2-mercaptoaniline were prepared and characterized by their IR absorption spectra, X-ray powder diffraction measurements, elemental analysis and 1 H-NMR spectra. On the other hand, energy minimization studies of the molecules were carried out to obtain the most probable three-dimensional molecular conformations. The comparative 1 H-NMR, IR, X-ray powder diffraction and energy minimization studies have shown that metal atoms are connected to the N and S atoms of Schiff bases and the complex have cis type fashion.

Synthesis and characterization of N,N′-bis(2-thenylidene)-2,2′-diaminodiphenyl disulfideag

Abstract A new compound, N,N t - bis (2- thenylidene )-2,2′- diaminodiphenyl disulfide , known as disulfide compound was synthesised and characterized by IR, UV and 1H-NMR spectroscopy techniques. The crystal and molecular structure determination of the title compound (C22H16N2S4) was also undertaken in order to obtain a certain structure. The molecule has a trans configuration about the SS bond. The crystal structure is stabilized by a three-dimensional network of CH · · · N, CH · · · C and CH · · · S hydrogen bonds.