Synthesis, spectroscopic characterization and quantum chemical studies of a dioxomolybdenum(VI) complex with an N,S-substituted pyridoxal thiosemicarbazone
| Autor: | Olcay Bolukbasi, Yasemin Kurt, Ayberk Yilmaz, Berat İlhan-Ceylan, Kerem Kaya, Bahri Ülküseven |
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| Rok vydání: | 2021 |
| Předmět: |
010405 organic chemistry
chemistry.chemical_element 010402 general chemistry 01 natural sciences 0104 chemical sciences Inorganic Chemistry Bond length chemistry.chemical_compound Crystallography symbols.namesake chemistry Octahedron Molybdenum Materials Chemistry Proton NMR symbols Methanol Physical and Theoretical Chemistry Raman spectroscopy Pyridoxal Single crystal |
| Zdroj: | Polyhedron. 193:114884 |
| ISSN: | 0277-5387 |
| Popis: | The new compounds Pyridoxal N-allyl-S-methylthiosemicarbazone (L) and the dioxomolybdenum(VI) complex [MoO2(L)CH3OH] have been synthesized and characterized by elemental analysis, UV–Vis, FT-IR, Raman and 1H NMR spectra, and also by the single crystal X-ray diffraction technique. Single crystals of the cis-dioxomolybdenum(VI) complex were obtained by evaporating its methanol solution. According to the single-crystal X-ray diffraction investigation, the molybdenum atom in the complex is in a distorted octahedral coordination. The sixth coordination site is occupied by the oxygen atom of a methanol solvent molecule. The methanol coordination between the oxygen and molybdenum atoms is the weakest bond, with a Mo O bond length of 2.355 A. The geometries and vibrational spectra of the pyridoxal thiosemicarbazone (L) and its complex are explained by quantum chemical calculations. |
| Databáze: | OpenAIRE |
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