Dioxidomolybdenum(VI) complexes of allyl N'-2-hydroxy-3-methoxybenzylidenecarbamohydrazonothioate: synthesis,spectral, and theoretical investigations |
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| Authors: | Reza Takjoo Joel T Mague Zohreh Hasani Lydia Rhyman |
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| Institution: | 1. Faculty of Sciences, Department of Chemistry, Ferdowsi University of Mashhad, Mashhad, Iranr.takjoo@um.ac.ir p.ramasami@uom.ac.mu;3. Department of Chemistry, Tulane University, New Orleans, LA, USA;4. Faculty of Sciences, Department of Chemistry, Ferdowsi University of Mashhad, Mashhad, Iran;5. Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit, Mauritius |
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| Abstract: | The new dibasic NNO ligand H2L (H2L = allyl N′-2-hydroxy-3-methoxybenzylidenecarbamohydrazonothioate) was synthesized by condensation of 2-hydroxy-3-methoxybenzaldehyde with the product resulting from the reaction of thiosemicarbazide with allyl bromide. Four dioxidomolybdenum(VI) complexes with the general formula MoO2L(S)] (S=MeOH, EtOH, DMSO, and 1-methylimidazole) were synthesized and characterized by elemental analysis, FT-IR, EI-MS and UV-Vis spectroscopy, and by X-ray crystallography. Spectroscopic evidence indicates that the cis-MoO2 chelates have octahedral geometry in which H2L coordinates via the phenolate oxygen, azomethine nitrogen and deprotonated thioamide nitrogen. The other sites are occupied by two oxido and an additional ligand (S). Density functional theory calculations of spectral parameters were also carried out for these systems. |
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| Keywords: | Dioxidomolybdenum(VI) complexes synthesis X-ray spectroscopy DFT TD-DFT |
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