摘要
对卤代苯酚和卤代间甲苯酚进行了量子化学计算，获得了原子的自由价和原子的净电荷密度，由实验得到相应聚合物的Ｈ１－ＮＭＲ和Ｃ１３－ＮＭＲ谱图，由此探讨了由单体生成相应聚合物的线性结构情况．
Deals with quantum chemistry computation of halophenol and halo m cresol. The atomic free valences and net charge densities are obtained. At the same time, its polymer's H 1 NMR and C 13 NMR are obtained from experiment. Based on these data, preliminarly probes their linear polymer structures by polymerization from its monomers
关键词
阻燃剂
量子化学
卤代苯酚
聚合物
线性结构
Aromatic hydrocarbons
Fire retardants
Quantum chemistry
Nuclear magnetic resonance spectrometry
Linear polymers
Molecular structure
