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S-allyl-3-(2-pyridyl-methylene)dithiocarbazate ligand and its manganese(II), cobalt(III) and nickel(II) complexes |
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| Authors: | Reza Takjoo Roberto Centore S Ali Beyramabadi |
| Institution: | a Department of Chemistry, School of Sciences, Ferdowsi University of Mashhad, Mashhad 91775-1436, Iran b Department of Chemistry “Paolo Corradini”, University of Naples “Federico II”, Via Cinthia, 80126 Naples, Italy c Department of Chemistry, Payame Noor University (PNU), Mashhad, Iran d Department of Chemistry, Faculty of Science, Islamic Azad University, Mashhad branch, Mashhad, Iran |
| Abstract: | A new NNS tridentate ligand, S-allyl-3-(2-pyridyl-methylene)dithiocarbazate (HL) has been prepared. Three coordination complexes, Mn(L)2 (1), Co(L)2]NO3 (2) and Ni(L)2 (3) (L− is the deprotonated monoanionic form of HL) have been synthesized and characterized by elemental analysis, molar conductivity, FT-IR, 1H NMR and UV-Vis spectroscopy. 1 and 3 are neutral complexes, while 2 is cationic with nitrate as the counter ion. Single crystal X-ray diffraction analysis shows that bis-chelate complexes have a distorted octahedral geometry in which two ligands in thiolate tautomeric form coordinate to the metal center through N atoms of the pyridine and imino moieties and one S atom. Molecular geometry from X-ray analysis, molecular geometry optimization, atomic charges distribution and bond analysis of the ligand and complexes have been performed using the density functional theory (DFT) with the B3LYP functional. |
| Keywords: | NNS donor ligand Schiff base S-allyl dithiocarbazate Metal complexes Crystal structure DFT |
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