This study employs density functional theory to investigate whether asymmetric uranyl‐salophen catalyzes the activation of 2,4‐dichlorophenol, 2,4,6‐trichlorophenol, and pentachlorophenol through an analysis of alterations in bond lengths, Wiberg indices, IR and UV‐Vis spectra, and 13C NMR shifts. The findings reveal elongated bond lengths and increased electrophilicity, indicating partial disruption of the aromatic system and potential catalytic activation, thereby suggesting a possible application for the degradation of chlorophenols in w...
