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Pregled bibliografske jedinice broj: 1140760

Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies

Bafti, Arijeta; Razum, Marta; Topić, Edi; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja
Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies // Molecular catalysis, 512 (2021), 111764, 12 doi:10.1016/j.mcat.2021.111764 (međunarodna recenzija, članak, znanstveni)

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Naslov
Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies

Autori
Bafti, Arijeta ; Razum, Marta ; Topić, Edi ; Agustin, Dominique ; Pisk, Jana ; Vrdoljak, Višnja

Izvornik
Molecular catalysis (2468-8231) 512 (2021); 111764, 12

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

Ključne riječi
Molybdenum ; Aroylhydrazones ; Epoxidation ; DFT ; Peroxides

Sažetak
Dinuclear and mononuclear molybdenum(VI) complexes with aroylhydrazonato ligands were studied as catalysts for cyclooctene and oct-1- ene epoxidation. Different isomers of the OH and NH2 functionalised aroylhydrazones led to four specific [MoO2L] units showing different catalytic activity. Three oxidants have been investigated: tert-butylhydroperoxide (TBHP) in water or in decane, and hydrogen peroxide (H2O2). Catalytic processes with TBHP in decane provided outstanding results in the case of cyclooctene epoxidation: TOF2.5 min > 9000 with 0.25 mol % [Mo] loading. DFT calculations confirmed the relationship between the ligand nature and reactivity with TBHP and H2O2 as oxidant agents. In the case of TBHP as oxidant, calculations considered the solvent in which the oxidant is delivered to the olefin. A plausible mechanism with H2O2 has been proposed after considering various pathways.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA

Projekti:
HRZZ-IP-2016-06-4221 - Metalosupramolekulske strukture i anorgansko-organski polioksometalatni hibridi (MOLART) (Vrdoljak, Višnja, HRZZ - 2016-06) ( CroRIS)
EK-EFRR-KK.01.1.1.02.0016 - Centar izvrsnosti u kemiji - CIuK (CIuK) (Požar, Josip; Rubčić, Mirta; Biljan, Ivana, EK - KK.01.1.1.02) ( CroRIS)

Ustanove:
Prirodoslovno-matematički fakultet, Zagreb

Profili:

Avatar Url Edi Topić (autor)

Avatar Url Višnja Vrdoljak (autor)

Avatar Url Jana Pisk (autor)

Avatar Url Marta Razum (autor)

Avatar Url Arijeta Bafti (autor)

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com doi.org

Citiraj ovu publikaciju:

Bafti, Arijeta; Razum, Marta; Topić, Edi; Agustin, Dominique; Pisk, Jana; Vrdoljak, Višnja
Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies // Molecular catalysis, 512 (2021), 111764, 12 doi:10.1016/j.mcat.2021.111764 (međunarodna recenzija, članak, znanstveni)
Bafti, A., Razum, M., Topić, E., Agustin, D., Pisk, J. & Vrdoljak, V. (2021) Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies. Molecular catalysis, 512, 111764, 12 doi:10.1016/j.mcat.2021.111764.
@article{article, author = {Bafti, Arijeta and Razum, Marta and Topi\'{c}, Edi and Agustin, Dominique and Pisk, Jana and Vrdoljak, Vi\v{s}nja}, year = {2021}, pages = {12}, DOI = {10.1016/j.mcat.2021.111764}, chapter = {111764}, keywords = {Molybdenum, Aroylhydrazones, Epoxidation, DFT, Peroxides}, journal = {Molecular catalysis}, doi = {10.1016/j.mcat.2021.111764}, volume = {512}, issn = {2468-8231}, title = {Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies}, keyword = {Molybdenum, Aroylhydrazones, Epoxidation, DFT, Peroxides}, chapternumber = {111764} }
@article{article, author = {Bafti, Arijeta and Razum, Marta and Topi\'{c}, Edi and Agustin, Dominique and Pisk, Jana and Vrdoljak, Vi\v{s}nja}, year = {2021}, pages = {12}, DOI = {10.1016/j.mcat.2021.111764}, chapter = {111764}, keywords = {Molybdenum, Aroylhydrazones, Epoxidation, DFT, Peroxides}, journal = {Molecular catalysis}, doi = {10.1016/j.mcat.2021.111764}, volume = {512}, issn = {2468-8231}, title = {Implication of oxidant activation on olefin epoxidation catalysed by Molybdenum catalysts with aroylhydrazonato ligands: Experimental and theoretical studies}, keyword = {Molybdenum, Aroylhydrazones, Epoxidation, DFT, Peroxides}, chapternumber = {111764} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus

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