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Öğe Synthesis, spectroscopic characterization and density functional studies of a bis-benzimidazole derivative and of its complexes with palladium(II) halides(Elsevier France-Editions Scientifiques Medicales Elsevier, 2014) Aghatabay, Naz Mohammed; Altun, Ahmet; Gurbuz, Mustafa Ulvi; Turkyilmaz, MuratThe 2,6-bis(benzimidazol-2'-ylthiomethyl)pyridine (L) ligand and its palladium(II) complexes [Pd(L)X]X (X=Cl, Br, and I) have been synthesized and characterized by spectroscopic data acquisition. The ligand (L) was prepared by conventional heating as well as by microwave irradiation. Microwave irradiation shows additional features, including an easy workup, a much faster reaction and higher yields. The molar conductivity data reveal that the complexes form a 1:1 electrolyte in DMSO. The geometries, ground-state energetics and vibrational spectra of (L) and of its complexes have been elucidated, in terms of quantum chemical calculations. In the mononuclear complexes, the palladium atom is coordinated to three nitrogen atoms and one terminal halogen atom in a slightly distorted square planar arrangement. The present elemental analyses, FT-IR (mid, far), H-1 and C-13 NMR spectra are in good accordance with the square planar geometry around the Pd ion. The thermal behaviors of the complexes have been assessed by thermal gravimetric and differential thermal analyses. (C) 2013 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.Öğe Synthesis, structural aspects, antimicrobial activity and ion transport investigation of five new [1+1] condensed cycloheterophane peptides(Springer, 2014) Zaim, Omer; Aghatabay, Naz Mohammed; Gurbuz, Mustafa Ulvi; Baydar, Caglar; Dulger, BasaranFive novel [1+1] condensed cycloheterophane peptides were synthesized via reaction of pyridine-2,6-bis(2-aminothiophenoxymethyl) with several diacid chlorides: glutaryl dichloride, adipoyl dichloride, 2,2'-thiodiacetyl chloride, dithiodiglycoloyl chloride and 3,3'-thiodipropionoyl chloride combinations (L-1-L-5). The compounds were characterized by elemental analyses, mass, FT-IR, H-1, and C-13 NMR spectral data. The antimicrobial activities of the compounds were evaluated using the disk diffusion method in dimethyl sulfoxide as well as the minimal inhibitory concentration dilution method, against several bacteria and yeast cultures. The results were compared with those of commercial antibiotic and antifungal agents. Structure activity relationships were also discussed. Permeability of compound L-5 against Na+ and K+ were also investigated.