Julie Héron successfully defended her PhD thesis

MSc. Julie Héron defended her PhD thesis «C-H Activation and CuAAC Reactions with 1,8-Naphthyridine Based Dicopper Complexes from a Computational Perspective» on November 18 2021.

Right to left, in the first row, the members of the tribunal: Jonathan Smith (administrator), Xavier Solans-Monfort (first opponent), and Amalia Poblador Bahamonde (second opponent). In the second row: Julie Héron (now Dr.), David Balcells (main supervisor), Ainara Nova (co-supervisor), and Mats Tilset (co-supervisor). In the back, the audience from the Hylleraas Centre.

Having given her trial lecture on “Methods for modeling first row transition metal complexes” in the  morning, Julie defended her dissertation «C-H Activation and CuAAC Reactions with 1,8-Naphthyridine Based Dicopper Complexes from a Computational Perspective» in the afternoon on November 18 2021 at the Hylleraas Centre in Oslo. The committee consisted of Assoc. Prof. Xavier Solans-Monfort, Autonomous University of Barcelona, Spain, Dr. Amalia Poblador Bahamonde, University of Geneva, Switzerland, and Prof. Jonathan Smith, University of Oslo, Norway. The event was held in a fully physical format in the main Hylleraas Seminar room V205. After the defense, there was an informal celebration in the kitchen of the Hylleraas Centre with cake, drinks, and presents.

Popular scientific abstract

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.

Published Nov. 19, 2021 11:46 AM - Last modified Nov. 23, 2021 10:27 PM