Mursaleem Ansari

Dec 1, 2023 | pubs.rsc.org | Manjeet Kumar |Manoj Gupta |Mursaleem Ansari |Azaj Ansari

C-H Bond Activation by High-valent Iron/Cobalt-oxo Complexes: A Quantum Chemical Modeling Approach High-valent metal-oxo species serve as key intermediates in the activation of inert C–H bonds. Here, we present a comprehensive DFT analysis of the parameters that have been proposed as influencers in modeled high-valent metal-oxo mediated C–H activation reactions.