Bi-electronic excitation as a possible source for excited state absorptions in molecular systems

研究项目的中心部分是阐明单体分子体系的S1-&GT；SX激发态吸收(ESA)的物理性质，这些吸收出现在吸收光谱的最长波长的光谱区域。该项目的目标将是确定在单重态系统中，是否只有两个价电子中的一个离开其基态轨道，或者两个电子都离开。尽管这个问题对我来说很重要，但它既没有理论上的答案，也没有实验上的答案。人们越来越希望准确地了解分子的激发态吸收，因为它们经常干扰光学系统的应用。此外，激发态吸收还可以开辟新的应用领域。为了详细阐明这些激发态吸收的上述物理背景，请求的项目涉及具有两个价电子的单体分子体系(单重态体系)的定量分析。这些研究将通过将它们与只有一个价电子的分子系统(双重态、三重态)进行比较来补充。

Central part of the proposed research project is the elucidation of the physical nature of S1->Sx excited state absorptions (ESA) of monomer molecular systems which appear in the spectral region of the most long wavelength band of the absorption spectrum. Goal of the project will be to decide if in singlet systems only one of the two valence electrons leaves its ground state orbital or both electrons do. Despite the fundamental importance of this problem to my knowledge there is neither a theoretical nor an experimental answer, yet.The exact acquaintance of excited state absorptions of molecules is increasingly desirable because they often disturb applications in optical systems. Otherwise, excited state absorptions can also open new fields of application.To clarify the above mentioned physical background of these excited state absorptions in detail the requested project deals with a quantitative analysis of monomeric molecular systems with two valence electrons (singlet systems). The investigations will be supplemented by comparing them with molecular systems having only one valence electron (doublet, triplet systems).