聚合物
结晶
离子键合
缩聚物
溶解度
产量(工程)
表征(材料科学)
Crystal(编程语言)
材料科学
乙烯
热分析
晶体结构
分子轨道
化学
衍射
质子核磁共振
高分子化学
分子
物理化学
热的
结晶学
热力学
有机化学
纳米技术
离子
催化作用
物理
冶金
程序设计语言
计算机科学
光学
作者
Daisuke Abe,Yuji Sasanuma
出处
期刊:Polymer Chemistry
[The Royal Society of Chemistry]
日期:2012-01-01
卷期号:3 (6): 1576-1576
被引量:13
摘要
Molecular design of poly(ethylene dithioterephthalate) (PETS2) and poly(ethylene tetrathioterephthalate) (PETS4) has been carried out by molecular orbital calculations, NMR experiments, and single crystal X-ray structure analysis for their model compounds and refined rotational isomeric state calculations for the two polymers, and their conformational characteristics, crystal conformations, configurational properties, solubilities, crystallization behaviors, and thermal properties were predicted. For the purpose of the experimental verification, PETS2 and PETS4 were actually prepared and fully characterized. The new polymer, PETS4, was synthesized by an ionic polycondensation reaction using a complex of tetrathioterephthalic acid and piperidinium. The two polymers were characterized by elementary analysis, IR, solubility test, X-ray diffraction, thermal analysis, and solid-state NMR to yield experimental results satisfactorily consistent with the theoretical predictions. Through the actual examples, molecular design of polymers has been proved to be feasible.
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