Data from: Evaluating Coordinative Binding Mechanisms through Experimental and Computational Studies of Methoxy-substituted Arylazothioformamide Copper(I) Complexes

UV-Vis spectroscopic titration studies of ATF ligands 6, 8 and 10 with Cu salts were prepared as follows: ligand solutions were prepared to 1.45 x 10-4 M in acetonitrile. 1.2 mL of ATF solution was added to a quartz cuvette. Titrations were performed with Cu halide salts and [N(Bu4)2(µ-I)-Cu2I4] utilizing 1.35 mM stock solutions in acetonitrile and sequentially adding 13 µL (roughly 0.1 equivalent of metal salt) until reaching a metal salt concentration of three equivalents (a final volume of 2.0 mL); [(CH3CN)4CuI]BF4 salts titrations were performed in the same manner as above to a final 1.5 equivalents. Each titration was performed in triplicate.

本研究通过紫外-可见光谱滴定法，对ATF配体6、8和10与铜盐的相互作用进行了系统研究。具体实验步骤如下：将配体溶液配制成1.45 x 10^-4 M的乙腈溶液。向石英比色皿中加入1.2 mL的ATF溶液。使用乙腈中1.35 mM的储备溶液，以13 µL（约0.1当量）的金属盐逐次添加，直至金属盐浓度达到三当量（最终体积为2.0 mL），并以此法进行[CuI(BF4)2(CN)4]盐的滴定，直至达到1.5当量。每个滴定实验均重复三次。