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- W4306408039 abstract "Abstract Redox‐active arylazothioformamide (ATF) ligands, when reacted with Cu I salts, coordinate to form a variety of 1 : 1 dimers and 2 : 1 ligand‐metal complexes through a N=N−C=S chelation motif. In this study, monosubstituted ( ortho/meta/para ) methoxy regioisomers of ATF were synthesized and evaluated with Cu I halide and BF 4 salts. UV‐Vis binding association studies revealed a 2 : 1 binding association model against all species producing a para ≫ ortho > meta pattern across the methoxy substitution range. To understand why the 2 : 1 non‐linear binding model was preferred over a 1 : 1 model for Cu I halide salt dimers (i. e., A 2 B 2 ), a series of mechanisms were computed indicating that metal salt dimers (i. e., B+B→B 2 ) or ligand‐metal salt‐metal salt‐ (i. e., AB+B→AB 2 ) interactions provide favorable pathways. Combined, the data substantiate the 2 : 1 binding association mechanistically even as the substitution pattern, steric bulk, and electronics alter the coordination strength of the ligands to the Cu I center." @default.
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- W4306408039 date "2022-11-07" @default.
- W4306408039 modified "2023-09-26" @default.
- W4306408039 title "Evaluating Coordinative Binding Mechanisms through Experimental and Computational Studies of Methoxy‐Substituted Arylazothioformamide Copper(I) Complexes" @default.
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- W4306408039 doi "https://doi.org/10.1002/ejic.202200421" @default.
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