Naslov
Efficient Molybdenum Hydrazonato Epoxidation Catalysts Operating under Green Chemistry Conditions: Water vs. Decane Competition

Autori
Mrkonja, Silvija ; Topić, Edi ; Mandarić, Mirna ; Agustin, Dominique ; Pisk, Jana

Izvornik
Catalysts (2073-4344) 11 (2021), 7; 756, 14

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
molybdenum ; aroylhydrazone ; epoxidation ; catalysis ; organic solvent-free process ; TBHP in decane ; TBHP in water ; DFT calculations

Sažetak
Molybdenum compounds containing benzaldehyde- based hydrazones were obtained. The reaction in MeOH resulted with monomeric Mo complexes, [MoO2(L)(MeOH)], while the reaction in dichloromethane (DCM) provided oligomeric complexes, [MoO2(L)]n. The solid-state structures of the obtained compounds were investigated through Infrared Spectroscopy - Attenuated Total Reflection (IR-ATR), Thermogravimetric analysis (TGA), and via X-ray diffraction. The prepared molybdenum species were employed as cyclooctene epoxidation catalysts. TBHP (tert- butylhydroperoxide) in water and TBHP in decane were employed and compared as oxidants, with 0.25 mol% [Mo]. The catalyst activity and selectivity towards epoxide is >90% for all the reactions. The results have been linked to theoretical calculations, showing the importance of the first step, i.e., the transformation of [MoO2(L)(MeOH)] into the pentacoordinate [MoO2(L)].

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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