Ligand Effects in Metal Alkylidynes

Probing Ligand Effects in Metal Alkylidynes and Establishing (Electronic) Structure – Activity Relationships in Alkyne Metathesis

Carbon-13 chemical shift is a predictive tool for catalyst activity in alkyne metathesis. Here, we investigate a series of molecular and silica-supported Molybdenum-alkylidynes and show that the carbon-13 chemical shift of the alkylidyne carbon probes the energy of the p*(M–C) orbital that controls the reactivity of these complexes and has predictive power in assessing metathesis activity.

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