通过溶剂化显色探针研究甲醇/甲酰胺/乙腈三元混合物

Study of the Ternary Mixture of Methanol/Formamide/Acetonitrile via Solvatochromic Probes.

作者信息

Nunes Nelson, Elvas-Leitão Ruben, Martins Filomena

机构信息

Departamento de Engenharia Química, Instituto Superior de Engenharia de Lisboa, Instituto Politécnico de Lisboa, Rua Conselheiro Emídio Navarro, 1959-007 Lisboa, Portugal.

Centro de Química Estrutural, Institute of Molecular Sciences, Faculdade de Ciências, Universidade de Lisboa, Ed. C8, Campo Grande, 1749-016 Lisboa, Portugal.

出版信息

Molecules. 2024 Jan 2;29(1):246. doi: 10.3390/molecules29010246.

DOI:10.3390/molecules29010246

PMID:38202829

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10780662/

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, ,-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, , , and *, 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

根据先前的研究，使用一组五个探针（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-吡啶鎓)酚盐（赖夏德特甜菜碱染料）），在298.15 K下利用紫外-可见吸收光谱研究了甲醇/甲酰胺/乙腈（MeOH/甲酰胺/MeCN）的三元混合物，共研究了22个摩尔分数的三元组分。此外，还测试了基础二元混合物MeOH/甲酰胺和甲酰胺/MeCN的九个摩尔分数。光谱结果用于模拟混合物中每个探针的优先溶剂化顺序。还通过使用五个探针指示剂的溶剂化显色位移计算了Kamlet-Taft溶剂化显色溶剂参数α、β和π*。此外，观察并分析了4-硝基苯酚在富含甲酰胺的混合物中的光谱行为差异。