Experimental and Theoretical Study on the Interaction of P-Aminophenol Hydrochloride with H2O

被引：2

作者：

Hou, Bingbing ^{[1
]}

Peng, Peng ^{[1
]}

Zhang, Ping ^{[1
]}

Zhai, Cuiping ^{[1
]}

机构：

[1] Henan Univ, Coll Chem & Chem Engn, Inst Funct Polymer Composites, Kaifeng 475004, Peoples R China

来源：

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 2019年 / 233卷 / 02期

基金：

中国国家自然科学基金;

关键词：

experiment; H2O; interaction; p-aminophenol hydrochloride; quantum chemical calculation; ACID PLUS WATER; 1-ALKYL-3-METHYLIMIDAZOLIUM IONIC LIQUIDS; DENSITY-FUNCTIONAL THEORY; VOLTAMMETRIC DETERMINATION; DOPAMINE HYDROCHLORIDE; HYDROGEN-BONDS; NMR; ELECTRODE; SPECTROSCOPY; SOLUBILITIES;

D O I：

10.1515/zpch-2018-1129

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

UV-Vis absorption spectra, cyclic voltammetry and H-1 nuclear magnetic resonance (H-1 NMR) spectra were applied to explore the hydrogen bond interactions of p-aminophenol hydrochloride (PAH) with H2O. The results indicated the hydrogen bonds were formed in PAH-H2O system. The anodic/cathodic peak potentials and UV-Vis absorption bands of PAH in H2O could be affected due to the interactions. The results of density functional theory, atoms in molecules theory and natural bond orbital analyses further confirmed the existence of hydrogen bonds between the phenolic hydroxyl, -NH3+ protons and Cl- of PAH and H2O. Furthermore, the pi-pi stacking was suggested between PAH benzene rings from the H-1 NMR spectra at higher concentrations.

引用

页码：303 / 313

页数：11