Our paper entitled “Insights into the effect of contact ion-pairs on C-H bond activation for the synthesis of Ru(III)-NHC complexes: A combined experimental and computational study” has been published in the Journal of Organometallic Chemistry (DOI: https://doi.org/10.1016/j.jorganchem.2023.122802).
This is the first computational paper from our group which reports a DFT study of the mechanism for the electrophilic C-H activation during the base-free synthesis of Ru(III)-NHC complexes.
Congratulations to Navdeep for his first paper from PhD thesis work! Congratulations to all the co-authors!!