B–B multiple bond-mediated dinitrogen cleavage induced by carbon monoxide

Abstract

The N₂ triple bond is cleaved through the rearrangement of NNBBCO via an (η²-N₂)BBCO intermediate to form a BNBNCO complex in a low-temperature nitrogen matrix, which is identified by infrared spectroscopy and theoretical calculations. The inductive effect of CO and the electron density transfer from B–B multiple bonds to N₂ through a transition metal-like π-backdonation are elucidated by theoretical calculations.