Conversion of Dinitrogen into Nitrile: Cross?Metathesis of N ₂ ?Derived Molybdenum Nitride with Alkynes

The direct synthesis of nitrile from N2 under mild conditions is great importance and has attracted much interest. Herein, we report a conversion into via nitrile–alkyne cross-metathesis (NACM) process involving N2-derived Mo nitride. Treatment the nitride with alkyne in presence KOTf afforded an alkyne-coordinated nitride, which was then transformed MoV carbyne corresponding upon 1 e? oxidation. Both aryl- alkyl-substituted alkynes underwent this smoothly. Experiments DFT calculations have proved that oxidation state center plays crucial role. This method does not rely on nucleophilicity metal offering novel strategy for fixation chemistry.