Making Base-Assisted C–H Bond Activation by Cp*Co(III) Effective: A NoncovalentInteraction-Inclusive Theoretical Insight and Experimental Validation

The base-assisted cyclometalation of 2-phenylpyridine (2-phpyH) by Cp*Co(III) was holistically addressed both theoretically and experimentally. Combined DFT and DLPNO-CCSD(T) methods assisted by QT...