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基于共振论,本文提出了一种计算共振能的经验方法。设有共振能计算参量K_i,i对应于各Kekulè式,设六重组苯环对K_i贡献为2,仅有环内共轭二烯者为1,无以上条件者为零。若苯的实验共振能为R,结构数为SC,则:■算得的共振能与已有的实测值高度接近,因而也与SCF-MO等法的计算值优异地线性相关。作者称本法为共振能的苯环计数法。借本法,作者导出了计算省系,芬系,星系及衍生省系的共振能的9个通式。用本法算得的Diels-Alder反应的△RE与实测的K_2优异地线性相关。
Based on the resonance theory, this paper presents an empirical method to calculate the resonance energy. The resonance energy calculation parameter K_i, i corresponds to each Kekulè type, and the six recombination benzene ring contributes 2 to K_i, and only the ring conjugated diene is 1, and the above condition is zero. If the experimental resonance energy of benzene is R and the number of structures is SC, then: ■ The calculated resonance energy is highly close to the existing measured values and thus is also linearly related to the calculated value of the SCF-MO method. The author claims that this method is a resonant energy benzene counting method. By this law, the author has derived nine general formulas for the calculation of the resonance energy of provincial, fen-linked, galaxy and derivative provinces. The △ RE of Diels-Alder reaction calculated by this method is excellent linearly correlated with the measured K 2.