Cristin-resultat-ID: 2004688
Sist endret: 22. februar 2022, 20:14
Resultat
Doktorgradsavhandling
2021

Computational study on the deaminative hydrogenation of amides catalyzed by base metal complexes

Bidragsytere:
  • Lluís Artús Suàrez

Utgiver/serie

Utgiver

Universitetet i Oslo, Det matematisk-naturvitenskapelige fakultet

Serie

Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.
ISSN 1501-7710
NVI-nivå 0

Om resultatet

Doktorgradsavhandling
Publiseringsår: 2021
Volum: 2021
Hefte: 2388
Antall sider: 175

Klassifisering

Fagfelt (NPI)

Fagfelt: Kjemi
- Fagområde: Realfag og teknologi

Beskrivelse Beskrivelse

Tittel

Computational study on the deaminative hydrogenation of amides catalyzed by base metal complexes

Sammendrag

Catalytic hydrogenation of amides could be an excellent option for the green atom efficient formation of alcohols and amines. However, the low reactivity of amides has been a big drawback for this reaction. In the last decade, the emergence of bifunctional catalysts for hydrogenation reactions improved the conditions for amide hydrogenation and made them feasible on larger scales. Still, the reaction mechanisms remained underinvestigated. In the course of his PhD studies, the candidate has elucidated the reaction mechanisms and bottlenecks by computational simulations at a quantum scale. With that information, the candidate proposed new catalysts that avoided such bottlenecks. Later, experimental studies proved the increased performance of the predicted catalysts.

Bidragsytere

Lluís Artús Suàrez

  • Tilknyttet:
    Forfatter

Ainara Nova Flores

  • Tilknyttet:
    Veileder

Mats Tilset

  • Tilknyttet:
    Veileder
    ved Katalyse ved Universitetet i Oslo

David Balcells

  • Tilknyttet:
    Veileder
    ved Kjemisk institutt ved Universitetet i Oslo
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