化学学报 ›› 1992, Vol. 50 ›› Issue (8): 756-761. 上一篇    下一篇

研究论文

硫化对聚乙炔结构和性能的影响

傅玉洁;苏忠民;王荣顺;谢德民   

  1. 东北师范大学化学系
  • 出版日期:1992-08-15 发布日期:1992-08-15

The influence of sulfidation on the structure and properties of polyacetylene

FU YUJIE;SU ZHONGMIN;WANG RONGSHUN;XIE DEMIN   

  • Online:1992-08-15 Published:1992-08-15

本文利用DSC, FT-IR光谱对聚乙炔硫化产物进行了表征, 研究了聚乙炔硫化前后结构和性能的变化。采用量子化学CNDO/2晶体轨道方法, 首次对硫化聚乙炔的分子结构及电子性质进行理论计算, 探讨了硫化对聚乙炔结构和性能的影响。

关键词: 红外分光光度法, 分子结构, 微分重叠全忽略近似, 结构与性能关系, 示差扫描量热法, 电子结构, 硫化, 聚乙炔, 硫化聚乙炔

The structure and properties of polyacetylene obtained by dehydrochlorination of PVC before and after sulfidation were studied by DSC and FTIR spectra. The mol. structure and electron properties of sulfided polyacetylene were calculated by CNDO/2 MO. Sulfidation greatly affected the energy level band structure, especially the energy band near HOCO and LUCO. The presence of S also changed the elec. charge distribution in the polymer.

Key words: INFRARED SPECTROPHOTOMETRY, MOLECULAR STRUCTURE, CNDO APPROXIMATION, STRUCTURE AND PROPERTY CORRELATION, DIFFERENTIAL SCANNING CALORIMETRY, ELECTRONIC STRUCTURE, CURING, POLYACETYLENE

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