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近年来我们关于分子模糊对称性的工作多属于模糊点对称性的研究,关于模糊空间对称性探讨较少.聚炔作为线状一维模糊周期分子,我们曾对其进行了初步分析.虽然对于聚炔分子骨架的分析比较全面,但由于繁冗的计算使我们对分子轨道(MO)模糊对称性的分析只限于少数典型分子.本文将对不同的聚炔分子MO模糊对称性特征进行较为系统的分析.结果表明包含不同碳原子数目的分子轨道模糊对称性参数值之间有一定相关性.此外我们还对一些相关体系分子的MO进行分析,累积多烯分子虽然并非线型分子,但其π-MO相关的碳原子处于线性位置,可依模糊一维周期的G11体系处理.按Born-Karman近似,即n个单元的一维周期对称群与Cn点群同构,本文还分析了相关的全碳环分子的MO的对称性和模糊对称性.努力寻求与一维周期性相关的模糊对称性规律性特征.
In recent years, our work on the molecular symmetry of fuzziness mostly belongs to the research of fuzzy symmetry, and there is less discussion on the symmetry of fuzzy space.Polyne as a linear one-dimensional fuzzy periodic molecule, we conducted a preliminary analysis of it. However, the analysis of the molecular orbital (MO) fuzzy symmetry is only limited to a few typical molecules due to the complicated calculations.In this paper, we systematically study the fuzzy symmetry characteristics of different polyyne MOs The results show that there are some correlations between the parameters of molecular orbital symmetry with different numbers of carbon atoms. In addition, we also analyze the MOs of some related molecular systems. Although the cumulative polyene molecules are not linear molecules, their π -MO-related carbon atoms in a linear position can be processed by the G11 system with a one-dimensional fuzzy cycle.By the Born-Karman approximation, the one-dimensional periodic symmetry group of n units is isomorphic to the Cn point group, and the related Symmetry and ambiguity symmetry of MO of all-carbon ring molecules, and strive to find the regularity of fuzzy symmetry which is related to one-dimensional periodicity.