Crystallographic, Electronic Structure, and Computational Studies of PHOX-Ni Aryne Complexes: Origins of Regioselectivity in Metal-Bound Aryne Synthesis and Difunctionalization.

ABSTRACT: Late transition metal aryne complexes are stable, isolable counterparts to free aryne intermediates. However, their utility has largely been limited since the Aryne Distortion Model (ADM) cannot be applied to substituted aryne complex reactivity, leading to nonselective reactions. Our group recently reported the first regioselective synthesis and difunctionalization of a CyPHOX-Ni o-methoxybenzyne complex. However, to increase the utility of these complexes in synthesis, their electronic structure, reactivity, and the impact of aryne substituents on selectivity must be understood. Herein, we report the first comprehensive experimental electronic structure study of aryne complexes, which has been carried out via UV/vis spectroscopy and cyclic voltammetry (CV) with an array of o

SUBMITTER: Umanzor A 

PROVIDER: S-EPMC12648280 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature