A DFT Survey of the Effects of d‐Electron Count and Metal Identity on the Activation and Functionalization of C−H Bonds for Mid to Late Transition Metals
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DOI: 10.1002/ijch.201700066
Abstract: The contribution of metal identity to the activation and functionalization of methane by a series of three-coordinate imide complexes is evaluated in silico for a 3-by-3 block of metals from Fe to Pt. Three mechanisms… read more here.
Keywords: activation functionalization; identity activation; transition metals; metal ... See more keywords