关键词: Kamlet–Taft parameters acetonitrile formamide methanol solvation solvatochromic probes ternary mixture

来  源:   DOI:10.3390/molecules29010246   PDF(Pubmed)

Abstract:
Following previous studies, the ternary mixture of methanol/formamide/acetonitrile (MeOH/Formamide/MeCN) was studied using the UV-Vis absorption spectra at 298.15 K with a set of five probes, 4-nitroaniline, 4-nitroanisole, 4-nitrophenol, N,N-dimethyl-4-nitroaniline and 2,6-diphenyl-4-(2,4,6-triphenyl-1-pyridinio)phenolate (Reichardt betaine dye), for a total of 22 mole ternary fractions. In addition, nine mole fractions of the underling binary mixtures, MeOH/Formamide and Formamide/MeCN were also tested. Spectroscopic results were used to model the preferential solvation order for each probe in the mixtures. The Kamlet-Taft solvatochromic solvent parameters, α, β, and π*, were also computed through the use of the solvatochromic shifts of the five probe indicators. Moreover, discrepancies in the spectroscopic behavior of 4-nitrophenol in formamide-rich mixtures were observed and analyzed.
摘要:
根据以前的研究,甲醇/甲酰胺/乙腈(MeOH/甲酰胺/MeCN)的三元混合物使用一组五个探针在298.15K的UV-Vis吸收光谱进行了研究,4-硝基苯胺,4-硝基苯甲醚,4-硝基苯酚,N,N-二甲基-4-硝基苯胺和2,6-二苯基-4-(2,4,6-三苯基-1-吡啶基)苯酚盐(Reichardt甜菜碱染料),总共22摩尔的三元分数。此外,下面的二元混合物的九摩尔分数,还测试了MeOH/甲酰胺和甲酰胺/MeCN。光谱结果用于模拟混合物中每个探针的优先溶剂化顺序。Kamlet-Taft溶剂化变色溶剂参数,α,β,和π*,还通过使用五个探针指示器的溶剂化变色位移来计算。此外,观察并分析了富含甲酰胺的混合物中4-硝基苯酚的光谱行为差异。
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