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Fuzzy space periodic symmetries for polyynes and their cyano-compounds
Authors:Xuezhuang Zhao  Zhengfeng Shang  Guichang Wang  Xiufang Xu  Ruifang Li  Yinming Pan  Zucheng Li
Institution:(1) Department of Chemistry, Nankai University, Tianjin, 300071, P. R.China;(2) Center for Theoretical and Computational Chemistry, Nankai University, Tianjin, 300071, P. R.China
Abstract:In our previous papers on the molecular fuzzy symmetry, we analyzed the basic characterization in connection with the fuzzy point group symmetry. In this paper, polyynes and their cyano-derivatives are chosen as a prototype of linear molecules to probe the one-dimensional fuzzy space group of parallel translation. It is notable that the space group is an infinite group whereas the point group is a finite group. For the fuzzy point group, we focus on considering the fuzzy characterization introduced due to the difference of atomic types in the monomer through point symmetry transformation in the beginning; and then we consider the difference between the infinity of space group and the finite size of real molecules. The difference between the point group and the space group lies in the translation symmetry transformation. This is the theme of this work. Starting with a simple case, we will only analyze the one-dimensional translation transformation and space fuzzy inversion symmetry transformation in this paper. The theory of the space group is often used in solid state physics; and some of its conclusions will be referred to. More complicated fuzzy space groups will be discussed in our future papers.
Keywords:fuzzy symmetry  space periodic symmetry  polyynes and polyyne derivatives
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