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Synthesis, Characterization And Theoretical Study Of Zn(Ii) Complex With New Schiff Base

F. Lafta,B. Wassan,A. Salah,Tahseen Ridha

Published 2017 in Diyala Journal for Pure Science

ABSTRACT

New Schiff base2-(5-Chloro-3,3-dimethyl-1,3-dihydro-indol-2-ylidene)-3-(2-hydroxyphenylimino)-propionaldehydecontaining indole ring as ligand has been synthesized. Metal complex of this ligand with divalent zinc ion was prepared. Prepared compounds were characterized basd on FTIR, H and C-NMR spectra, atomic absorption and chlorine determination to identify the final geometry of the complex. Experimental and computational study using Hartree-Fockmethod was carried out to confirm the most probable geometry. Key word: metalcomplex, Schiff base, hartree-fock Synthesis, Characterization And Theoretical Study Of Zn(Ii) Complex With New Schiff Base Fadhil Lafta Faraj, Wassan B.Ali , Salah A jassim and Tahseen Ridha Ali 263 Vol: 13 No:2 , April 2017 DOI: http://dx.doi.org/10.24237/djps.1302.225D P-ISSN: 2222-8373 E-ISSN: 2518-9255 يئانثلا نيصراخلا دقعمل ةيرظن ةساردو صيخشتو ريضحت ةديدج فش ةدعاق عم جرف ةتفل لضاف ، مساج نيدلا حلاص ، يلع رقاب نسو و يلع اضر نيسحت ىلايد ةعماج – مولعلا ةيلك – ءايميكلا مسق ةصلاخلا اذه يف مت هاندا فوصوملاو فش دعاوق نم ديدج بكرم ريضحت ثحبلا 2-(5-Chloro-3,3-dimethyl-1,3-dihydro-indol-2-ylidene)-3-(2-hydroxy-phenylimino)propionaldehyde تايلمع تيرجا .يئانثلا نيصراخلا نويا عم بكرملا اذه نم دقعم ريضحت ةيلمع ءارجا مت مث نمو لودنا ةقلح ىلغ يواحلاو تاينقت مادختساب تابكرملا هذهل صيخشتلا FTIR و NMR C 13 H 1 كلذو رولكلا ليلحت ىلا ةفاضا يرذلا صاصتملااو لاا مت دقو دقعملل يئاهنلا يسدنهلا لكشلا ديدحتل كوف يرتراهلا ةيرظن ىلع دنتست يتلا ةيجماربلاو ةيلمعلا قرطلاب للادتس Hartree-Fock ةلمتحملا لاكشلاا نيب نم احيجرت رثكلاا لكشلا ىلا لوصولل :ةيحاتفملا تاملكلا يرتراه و لودنا ، فش ةدعاق ، دقعم ، زلف نويا .كوف Introduction Due to the wide applications of Schiff bases derivatives in biology field such as antifungal, antibacterial, anticancer and antioxidant, it can be considered important organic compounds. The flexibility of this type of material can be used as a potent ligand for coordination with several metal ions [1-3]. Ligands containing indole ring which has bicyclic structure consist of benzene ring fused to pyrrole ring is also have pharmacological activities [4-7], so the presence of both groups in some compound should be definitely improve such activity. The coordination modes of metal complexes are closely control by several considerations such as: the nature of the metal ions, the identity of the ligand, type of the anions, organic co-ligands, and the presence of stacking interactions, hydrogen bonding and the type of solvent [8].Although, both six and five membered chelate rings complexes are the most stable compared with the others chelate Synthesis, Characterization And Theoretical Study Of Zn(Ii) Complex With New Schiff Base Fadhil Lafta Faraj, Wassan B.Ali , Salah A jassim and Tahseen Ridha Ali 264 Vol: 13 No:2 , April 2017 DOI: http://dx.doi.org/10.24237/djps.1302.225D P-ISSN: 2222-8373 E-ISSN: 2518-9255 rings. there are some requirements for the stability for each one, small metal ions prefer sixmembered chelate rings, but large metal ions favor five-membered chelate rings [9&10], as well, six-membered chelate rings with aromatic ligands or conjugated pi bonds being more stable than five membered chelate because of the release in the strain consideration by resonance and wider angles between bonds. Owing to preferable changes in entropy, aliphatic rings complexes give more stable five membered chelate rings [11].Computational chemistry is commonly used to estimate some useful parameters to understand the coordination between polydentate ligands and metal ions. The Hartree-Fock(HF) method is an Abinitio approach used to treat many electron systems, the Hartree-Fock method describes electronic motion in a mean field of the other electrons [12]. Geometry optimizations of metal complexes of several metal ion complexes were carried out at HF method [13&14], such optimization provides useful information about the coordination modes of a ligand to metal ions. In this work, synthesis and characterization of new polydentate ligand were established and then its coordination properties were studied using HF method. The preparation method of the new ligand is similar to synthetic pathway of old ligand from indole derivative as described by [15] in scheme below. In the present work, we used substituted indole derivative to synthesize the new Schiff base containing substituted indole as shown in follow scheme N H O

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