Synthesis, Characterization, and Theoretical Studies of Mo(VI)-Oxo Complexes with Tetradentate Schiff Base Ligands Derived from 2,2'-dimethyl-1,3-propanediamine

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Karimi, Hooman | 2015

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 47561 (03)
University: Sharif University of Technology
Department: Chemistry
Advisor(s): Kia, Reza
Abstract:
Two new dioxomolybdenum(VI) complexes have been synthesized by the reaction of N,N'-bis(5-chlorosalicylidene)-2,2'-dimethyl-1,3-propanediamine and N,N'-bis(5-bromosalicylidene)-2,2'-dimethyl-1,3-propanediamine as Schiff base ligands with [Mo(O)2(acac)2] in methanolic solution.and their electronic structures have been investigaged theoretically. The Schiff base ligands H2L1 and H2L2 were prepared by reaction of 5-Chlorosalicylaldehyde and 5-Bromosalicylaldehyde with 2,2'-dimethyl-1,3-propanediamine, respectively. The result of these reactions, was two complexes of Mo(O)2L1 and Mo(O)2L2 .The compounds were characterized by elemental analyses (CHN), and 1HNMR and IR spectroscopic techniques. Theoretical studies of the ligands and their molybdenum(VI) complexaes were performed with Gaussian software and the bond lengths and angles of the theoretical structures have been reported. The Oxo bonds length for complex Mo(O)2L1 are 1.711(Å) and 1.726(Å) and for complex Mo(O)2L2 are 1.711(Å) and 1.700(Å) . The energy levels and the frontier orbitals shapes of the ligands and complexes have been shown
Keywords:
Dioxomolybdenum Complexes ; Schiff Bases ; Tetradentate Schifbase Ligands ; Theoretical Studies

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