Material of oxo-peroxo-molybdenum (VI) complex involving 4-Furoyl-3-methyl-1-phenyl-2-pyrazoline-5- one: experimental cum theoretical observations
نویسندگان
چکیده
We report here the experimental and theoretical investigation of bis(4-furoyl-3-methyl-1-phenyl-2-pyrazolin-5-one)oxoperoxomolybdenum(VI) complex molecule. It was prepared by reaction (2:1) 4-furoyl-3-methyl-1-phenyl-2-pyrazolin-5-one [MoO(O)2]2+ in an aqueous ethanol medium. Characterization performed elemental analysis, molar conductivity, magnetic measurements, electrochemical infrared electronic spectral studies. Theoretical validation density functional theory calculations using B3LYP as LANL2DZ function. The molecular geometry results show a distorted pseudo-pentagonal bipyramidal together with O7 coordination mode around Mo(VI) center. FMO energies allow determination atomic parameters also represent charge transfer across
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ژورنال
عنوان ژورنال: Material science & engineering international journal
سال: 2023
ISSN: ['2574-9927']
DOI: https://doi.org/10.15406/mseij.2023.07.00209