Polymer ( IF 4.1 ) Pub Date : 2017-08-01 , DOI: 10.1016/j.polymer.2017.07.082 Bruno Nowacki , Cristiano Zanlorenzi , Alexander Baev , Paras N. Prasad , Leni Akcelrud
Design of supramolecular organization to produce large optical activity involves multiple factors either internal as external. In this paper, we report on the synthesis, systematic study and theoretical modeling of a series of chiral polyfluorene derivatives, whereby we identify the main parameters controlling the chiroptical activity of polymer films. For each polymer, five empirical/theoretical properties were chosen, due to their effect on the chirality parameter: glass transition temperature, dissymmetry factor, molar mass, helix tightness and the inverse of interconversion energy. We introduce a radar graph exhibiting the influence of chirality metric on these five parameters and their interplay. The polygonal area in the radar graph and the chirality parameter presented a direct relationship. Such graph can provide pre-screening of polymer properties, based on both experimental measurements and theoretical considerations and help choosing the right combination of parameters, leading to a material with the best properties.
中文翻译:
聚芴衍生物的结构与手性之间的相互作用
产生大的光学活性的超分子组织的设计涉及多个内部或外部因素。在本文中,我们报告了一系列手性聚芴衍生物的合成,系统研究和理论建模,从而确定了控制聚合物膜手性的主要参数。对于每种聚合物,由于它们对手性参数的影响,因此选择了五个经验/理论特性:玻璃化转变温度,不对称因子,摩尔质量,螺旋紧密度和互变能量的倒数。我们引入了一个雷达图,展示了手性度量对这五个参数及其相互影响的影响。雷达图中的多边形区域与手性参数呈直接关系。