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化学学报
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化学学报 ›› 2006, Vol. 64 ›› Issue (10): 1079-1084. 上一篇    下一篇

研究论文

N-乙酸基马来酰亚胺及其聚合物的合成和量化计算

曾玉香1,2，卑凤利1，王超3，杨绪杰1，陆路德1，汪信*,1   

  1. (1南京理工大学材料化学实验室 南京 210094)
    (2渤海职业技术学院应用化学系 天津 300402)
    (3天津市环境保护科学院 天津 300191)
  • 投稿日期:2005-08-06 修回日期:2006-02-21 发布日期:2006-05-25
  • 通讯作者: 汪信

Synthesis and Quantum Chemical Calculation of N-(4-Sulfophenyl)maleimide and Its Polymer

ZENG Yu-Xiang1,2, BEI Feng-Li1, WANG Chao3, YANG Xu-Jie1, LU Lu-De1, WANG Xin*,1   

  1. (1 Material Chemistry Laboratory, Nanjing University of Science & Technology, Nanjing 210094)
    (2 Applied Chemistry Department, Tianjin Bohai Vocational Technical College, Tianjin 300402)
    (3 Tianjin Academy of Environmental Sciences, Tianjin 300191)
  • Received:2005-08-06 Revised:2006-02-21 Published:2006-05-25
  • Contact: WANG Xin

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以马来酸酐和甘氨酸为原料, 采用两步法合成了N-乙酸基马来酰亚胺, 并用碱催化合成了其低聚物, 采用IR和1HNMR对产物进行了表征. 在不同溶剂条件下, 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-乙酸基马来酰亚胺及其低聚体的几何构型, 电荷分布, 振动分析及热力学函数.

关键词: N-乙酸基马来酰亚胺, 碱催化, 聚合, 量化计算

N-Glycinylmaleimide was synthesized using maleic anhydride and glycin by two-step reaction. The oligomer of N-glycinylmaleimide was prepared with base as catalyst and the structure of all the products were characterized by IR and 1H NMR. In terms of different solvent, the geometric structures, electron densities, vibration analysis, thermodynamic properties of N-glycinylmaleimide and its dimer were calculated at B3LYP/6-311g* and HF/6-311g* level.

Key words: N-glycinylmaleimide, basic catalysis, polymerization, quantum chemical calculation