共振论在类荧蒽体系光谱和极谱行为上的定量应用

    Quantitative Application of Resonance Theory on Spectroscopic and Polarographic Behaviors of Fluoranthenoid Series

    • 摘要: 前报证明:激发共振结构数与基振态共结构数比值的自然埘数,应与跃迁能相关参量线性相关。本文证明,达一线性关系在类荧蒽系PAH上也能良好地建立(|r|>0.95)。回归计算的判别表明:类荧蒽系的紫外激发态中,不包含桥连五员环中的形式单鍵共振为双鍵的结构,达与紫外激发态、极谱还原或氧化激发态相对于基态,分别具有A*,A-和A+的真实物理模型相一致,从而为激发态的共振结构可以真实存在提供了又一个证据。此外,本文还提出了计算类荧蒽系基态共振结构数(SC)和激发结构数的一般性方法。

       

      Abstract: It has been shown in our previous paper that the natural logarithms of the ratios of excited to ground resonance structure counts should be correlated linearly with parameters related to transition energy. In the present paper, it is proved that such linear correlations are also well established with f luoran thenoid series ( |r|>0.95). Based on the judgement o.f regression analysis, the excited double bond resonance structures which emerged from the formal single bond inside the bridged five member ring, can not be included in the excited structure count for the ultra-violet excited state, but must be counted during the discussion of the excited state for polarographic reduction or oxidation. This phenomenon is consistent with that, relative to the ground state A, the excited state induced by ultra-violet light, polarographic reduction or oxidation corresponds to the really physical model of A*,A-, and A+ respectively. This fact provides an another evidence for the possibly real presence of the excited resonance structure set. A general method for the enumeration of ground and excited resonance structures is also proposed in this paper.

       

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