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本文计算了双向型、合流型、分流型三岔共轭多烯链物的分子轨道能级,能级差量。它们的同系递变与相应线型共轭体系一样,也遵守同系线性规律。但它们的同系直线在截距和斜率上都表现有一定的差异,这些差异定量地表明了三岔共轭体系中一根分岔只起代基的作用。这样,由分子基态中轨道能级的同系直线的差异,即可找出作为代基的分岔基团的代基当量。 中心碳原子周围的p_(2-3)与p_(2-N)键级的同系直线和用能级因子考查三岔共轭体系的分子轨道能级和键级,所得结果也说明三岔共轭体系的侧链为代基。
In this paper, the molecular orbital energy levels and energy levels of bi-directional, confluent, shunt-type trifold conjugated polyene chains have been calculated. Their homology shifts in the same way as the corresponding linear conjugate systems, and they obey the same law of linearity. However, their homology lines show some differences in intercept and slope, and these differences quantitatively show that a bifurcation in the trifurcated conjugate system only plays the role of a substituent. In this way, the base equivalent of the bifurcation group as a substituent can be found from the difference of the homologous straight lines of the orbital energy levels in the ground state of the molecule. The homologous straight line of p_ (2-3) and p_ (2-N) bonds around the central carbon atom and the energy level factors of the p_ (2-N) bond were used to investigate the molecular orbital and bond order of the trifugal conjugated system. The side chain of the yoke system is a substituent.