Polytope 240-Based Rod Structures Made of Tetrahedral Atoms: Comparison with Structures Obtained Using a Modular Design Method

IF 1.6 4区 化学 Q4 POLYMER SCIENCE Polymer Science, Series C Pub Date : 2023-08-31 DOI:10.1134/S1811238223700315
E. A. Zheligovskaya
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Abstract

Some rod structures consisting of tetrahedral atoms and differing in symmetry are considered. The structures are obtained as a stereographic projection of polytope 240 vertices into three-dimensional Euclidean space when the polytope rolls along a straight line belonging to this space. The axes of the rod structures are the projections of great circles of a three-dimensional sphere containing the polytope 240 vertices. It has been shown that the rod structures obtained earlier by modular design are topologically equivalent to those considered in this paper, but they have a changed symmetry. Three possible conformations following from the results of this work are presented for a CnH2n hydrocarbon chain with close packing of atoms, conservation of the tetrahedral coordination of carbon atoms, and noncrystallographic symmetry.

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基于多面体240的四面体原子棒状结构:与采用模块化设计方法获得的结构的比较
考虑了一些由四面体原子组成的不同对称的棒状结构。当多面体沿属于该空间的直线滚动时,将多面体240个顶点的立体投影到三维欧几里德空间中得到结构。杆结构的轴线是包含多面体240个顶点的三维球体的大圆的投影。结果表明,通过模块化设计得到的棒材结构在拓扑上与本文考虑的棒材结构等效,但它们的对称性发生了变化。根据本工作的结果,提出了CnH2n烃链具有原子紧密排列、碳原子四面体配位守恒和非晶体对称的三种可能的构象。
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来源期刊
Polymer Science, Series C
Polymer Science, Series C 工程技术-高分子科学
CiteScore
3.00
自引率
4.50%
发文量
21
审稿时长
>12 weeks
期刊介绍: Polymer Science, Series C (Selected Topics) is a journal published in collaboration with the Russian Academy of Sciences. Series C (Selected Topics) includes experimental and theoretical papers and reviews on the selected actual topics of macromolecular science chosen by the editorial board (1 issue a year). Submission is possible by invitation only. All journal series present original papers and reviews covering all fundamental aspects of macromolecular science. Contributions should be of marked novelty and interest for a broad readership. Articles may be written in English or Russian regardless of country and nationality of authors. All manuscripts are peer reviewed
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