Catalytic Activity of an Asymmetric Uranyl‐Salophen on 2,4‐Dichlorophenol, 2,4,6‐Trichlorophenol, and Pentachlorophenol
Wenbo Lan,
Wenlu Guo,
Xiaofeng Wang
et al.
Abstract: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. Changes in various important parameters such as bond lengths, Wiberg bond indices, infrared vibrational absorption spectra, natural charge distributions, ultraviolet–visible absorption spectra, and 13C NMR chemical shifts of the aromatic rings of chlorophenols before and after forming complexes with asymmetric uranyl‐Salophe… Show more
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