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同系物结构与性能间的定量关系,几十年来一直未找到一种简单、普遍而准确的规律。最近蒋明谦提出了一个具有普遍性、精确性和专一性的简单规律,即同系线性规律。这个规律表明:同系物中各分子轨道的能量,各能级的差量以及依存于它们的各种物理化学性能,都是同系因子(1/α)~(2/n)的线性函数。本文的目的是企图找到同系线性规律的量子化学基础。首先考虑同系物X—(CH=CH)_n—Y,当n越大时,它们的性质就越来越接近多烯烃。所以先搞清楚多烯烃的能级,是了解同系物能级的基础。Huckel HMO法给出多烯烃H—(CH=CH)_n—H的分子轨道能级为
The quantitative relationship between structure and properties of homologues has not found a simple, universal and accurate law for decades. Recently, Jiang Mingqian proposed a simple law of universality, precision and specificity, namely the homologous linear law. This law shows that the energies of the molecular orbitals, the differences in energy levels and the physicochemical properties that depend on them are all linear functions of the homologous factor (1 / α) ~ (2 / n). The purpose of this paper is to attempt to find the basis of the quantum chemistry of the homologous linear laws. First consider the homologue X- (CH = CH) _n-Y. As n increases, their properties become more and more close to multi-olefins. So first figure out the multi-olefin energy level, is to understand the energy level of the homologue foundation. The Huckel HMO method gives the molecular orbital energy level of multi-olefin H- (CH = CH) _n-H as