每个次甲基CH占据多面休的一个顶角,即可构成一系列对称性很高的饱和碳烷(CH)_n。自1964年Eaton首次合成立方烷以来,一些有机化学家又先后合成了正四面体烷衍生物、棱晶烷、五棱晶烷,尤其是具有最高对称性(I_k)的正十二面体烷的合成,在结构、理论和合成艺术上都是一个颇引入注目的突破。本文试图通过从头算分子轨道理论和Hellmann-Feynman力分析,对这类引起化学家诸多重视的多面体碳烷(CH)_n(n=4,6,8,10,12,20)的结构与张力特性作出探讨。 Each methine CH occupies a top corner of the surface and forms a series of highly symmetric saturated carbon (CH) _n. Since Eaton first synthesis of cubic alkane in 1964, some organic chemists have successively synthesized tetra-n-alkane derivatives, propyne and pentagonal, especially n-dodecane with the highest symmetry (I_k) Synthesis, in the structure, theory and the art of synthesis is a rather dramatic breakthrough. This paper attempts to ab initio molecular orbital theory and Hellmann-Feynman force analysis of the structure and tension of this kind of polyhedral carbon (CH) _n (n = 4,6,8,10,12,20) Features to explore.