Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies
نویسندگان
چکیده
Dinuclear and mononuclear molybdenum(VI) complexes with aroylhydrazonato ligands were studied as catalysts for cyclooctene oct-1-ene epoxidation. Different isomers of the OH NH2 functionalised aroylhydrazones led to four specific [MoO2L] units showing different catalytic activity. Three oxidants have been investigated: tert-butylhydroperoxide (TBHP) in water or decane, hydrogen peroxide (H2O2). Catalytic processes TBHP decane provided outstanding results case epoxidation: TOF2.5 min > 9000 0.25 mol % [Mo] loading. DFT calculations confirmed relationship between ligand nature reactivity H2O2 oxidant agents. In oxidant, considered solvent which is delivered olefin. A plausible mechanism has proposed after considering various pathways.
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ژورنال
عنوان ژورنال: Molecular Catalysis
سال: 2021
ISSN: ['2522-5081', '2522-509X']
DOI: https://doi.org/10.1016/j.mcat.2021.111764