Hydrogen Bond Interaction of Ascorbic Acid with Urea: Experimental and Theoretical Study

被引：6
作者：
Peng, Peng [1 ]
Zhang, Ping [1 ]
Ma, Huiting [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 / 08期
基金：
中国国家自然科学基金;
关键词：
AIM; ascorbic acid; cyclic voltammetry; DFT; interaction; NBO; urea; MOLECULAR-DYNAMICS SIMULATIONS; CENTER-DOT-O; VITAMIN-C; DOPAMINE HYDROCHLORIDE; CHOLINE CHLORIDE; AB-INITIO; FT-IR; WATER; DFT; NBO;
D O I：
10.1515/zpch-2018-1177
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：
The interactions of ascorbic acid (AA) with urea were investigated by using the cyclic voltammetry, density functional theory, atoms in molecules and natural bond orbital analyses. The experimental and theoretical results show that the hydrogen bonds are formed between AA and urea, wherein the mainly interaction sites are the hydrogen atoms on enediol of AA and the oxygen atom on carbonyl of urea. The electrochemical behavior of AA was significantly affected by above interactions.
引用
收藏
页码：1061 / 1072
页数：12
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