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本文介绍了有机共轭体系的结构特点和利用简单Huckel分子轨道(HMO)理论对聚乙炔的电子结构予以处理,以展示其半导体的能带结构和分子中具有长短键交替的特征。并试图从化学角度理解拓扑激发(即孤子)的导电机理。
In this paper, the structural characteristics of organic conjugated systems are introduced and the electronic structures of polyacetylene are dealt with using simple Huckel molecular orbital (HMO) theory to demonstrate the energy band structure of semiconductors and the characteristics of long and short bonds in molecules. And attempt to understand the conductive mechanism of topological excitation (ie, soliton) from a chemical point of view.