Lewis acid activation of aliphatic fluorides
Title: Lewis acid activation of aliphatic fluorides
DNr: NAISS 2023/22-1033
Project Type: NAISS Small Compute
Principal Investigator: Kevin Breitwieser <breit@kth.se>
Affiliation: Kungliga Tekniska högskolan
Duration: 2023-10-09 – 2024-11-01
Classification: 10407


The activation of unreactive aliphatic fluorides is a current challenge. While limited reactions have been reported in literature, an improvement of those methods is desirable. To this end, computational chemistry is seen as a useful aid. First, reported C‒F activation reactions are investigated to elucidate their mechanism. In a second phase, the reactions are optimized by modification of the known reagents and assessing the influence on the thermodynamics and kinetics of the reaction.