Cristin-resultat-ID: 2004667
Sist endret: 22. februar 2022, 18:51
Resultat
Doktorgradsavhandling
2021

C-H Activation and CuAAC Reactions with 1,8-Naphthyridine Based Dicopper Complexes from a Computational Perspective

Bidragsytere:
  • Julie Héron

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: 2459

Klassifisering

Fagfelt (NPI)

Fagfelt: Kjemi
- Fagområde: Realfag og teknologi

Beskrivelse Beskrivelse

Tittel

C-H Activation and CuAAC Reactions with 1,8-Naphthyridine Based Dicopper Complexes from a Computational Perspective

Sammendrag

Copper salts are often used to activate the C-H bond of alkynes and to catalyze the cycloaddition of alkynes to azides (CuAAC reaction). While cheap and easily accessible, the copper salts generate many different active species (number of metals and ligands), complicating the study of the reaction mechanism. To overcome this issue, chelating ligands are used to control the number of metal atoms in the active species and to allow only a narrow range of ligand configurations. In the course of her PhD studies, the candidate has elucidated the mechanisms of these reactions for dicopper complexes with an unsymmetrical naphthyridine-based ligand with di (pyridyl) and phosphino side arms (DPEOPN) by computational simulations at a DFT level. With this information, the candidate proposed new potential complexes that could be more efficient in the C-H activation of alkynes.

Bidragsytere

Julie Héron

  • Tilknyttet:
    Forfatter
    ved Kjemisk institutt ved Universitetet i Oslo

David Balcells

  • Tilknyttet:
    Veileder
    ved Kjemisk institutt ved Universitetet i Oslo

Ainara Nova Flores

  • Tilknyttet:
    Veileder

Mats Tilset

  • Tilknyttet:
    Veileder
    ved Katalyse ved Universitetet i Oslo
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