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应用差分方程法讨论了一类单连直链共轭高分子的本征方程的分解表达式。提出近似模型,用插入法得到具有交替键长的完整共轭多烯的能级和分子轨道的解析表达式,使许多单连同系列共轭分子的电离势线性关联,包括不同的能级都可用统一的参数处理。对双连体系做了类似研究,并提出了相关系数的严格评定判据。
Differential equations are used to discuss the decomposition of the eigenvalue equation for a class of single-chain linear conjugated polymers. An approximation model is proposed to obtain the analytical expressions of the energy levels and molecular orbitals of intact conjugated polyenes with alternate bond lengths by inserting method to linearly correlate the ionization potentials of many conjugated molecules with series of conjugates including different energy levels Unified parameter processing. A similar study has been done on the twin systems, and the strict evaluation criteria for the correlation coefficients have been proposed.