氢键对马来酸、富马酸酸度影响的量子化研究  

A QUANTUM CHEMISTRY STUDY ON THE INFLUENCE OF HYDROGEN BOND ON THE ACIDITY OF MALEIC ACID AND FUMARIC ACID

作　　者：郑学仿[1] 张晓辉[1] 郭明[1] 

机构地区：[1]大连大学师范学院化学系

出　　处：《大连轻工业学院学报》1995年第4期28-30,共3页Journal of Dalian Institute of Light Industry

摘　　要：利用ＭＮＤＯ法，计算了马来酸、富马酸酸式离解过程的总能量变化，电荷分布及键合能．从微观角度讨论了分子内氢键的形成对二酸酸性的影响，计算结果与实验结果一致。Based on the MNDO method, It is caculated that the total energy,tbe charge distribution and the bonded cnergy about the maleic acid and the Fumaric acid during ionic dissociation. It is discussed that the uifluence of intramolecular hydrogen bond on the acidity of two kinds of acids at the microcosmic level.The results of caculation agrees with experiment very well.

关 键 词：富马酸 氢键 MNDO法 酸度 量子化 丁烯二酸 

分 类 号：O623.614[理学—有机化学]