Martin Srnec
Heyrovsky Institute of Physical Chemistry, CAS
I will present the methodology recently developed by us for the analysis of various contributions to C‑H bond activation reactivity including the contribution from asynchronicity between H+/e− transfers, which stems from the disparity between redox and acidobasic thermodynamic forces. To demonstrate the power of the approach, we will show and discuss H-atom abstraction reactivity of several biomimetic complexes and organic radicals. In the second part of the presentation, I will also correlate asynchronicity with a so-called ‘reactive mode composition factor’ and we will discuss the importance of this factor for rebound vs. dissociation selectivity of several experimentally well-characterized ferryl complexes.