N-(4-磺酸苯基)马来酰亚胺及其聚合物的合成与量子化学计算  

Synthesis and quantum calculation of N-(4-Sulfophenyl)Maleimide and its polymer

作　　者：曾玉香[1,2] 卑凤利[2] 

机构地区：[1]天津渤海职业技术学院环境工程系,天津300402 [2]南京理工大学材料化学实验室,江苏南京210094

出　　处：《天津化工》2008年第6期35-38,共4页Tianjin Chemical Industry

摘　　要：以马来酸酐和对氨基苯磺酸为原料,合成了N-(4-磺酸苯基)马来酰亚胺的钠盐,并用碱催化合成了其低聚物。采用IR和1H-NMR对产物进行了表征。采用量子化学方法在B3LYP/6-311g*和HF/6-311g*两种水平上,计算了N-(4-磺酸苯基)马来酰亚胺阴离子及其二聚体(聚合度为2的聚合物)的几何构型,电荷分布,振动分析及热力学函数。Sodium salt of N-（4-sulfophenyl）maleimide were synthesized using maleic anhydride and sulfanilic acid.The oiligomer of N-（4-sulfophenyl）maleimide was prepared with base as catalyst and the structure of all the products were characterized by IR,and1 1H-NMR.The geometric structures,electron densities,vibrantion ananlysis,thermodynamic properties of N-（4-sulfophenyl）maleimide anion and its dimmer were calculated at B3LYP/6-311 g^＊and HF/6-311 g^＊level.

关 键 词：N-(4-磺酸苯基)马来酰亚胺 聚合 量化计算 

分 类 号：TQ247.52[化学工程—有机化工]