Abstract
The electronic structures and spectral properties of a number of oxazole analogs of 1,4-distyrylbenzene and the isomeric 2,6-, 1,5-, and 2,7-distyrylnaphthalenes were studied within the framework of the Pariser-Parr-Pople method. The long-wave band of the electronic spectra of these compounds is formed by the So → S1 lower electron transition, which has general molecular character and is accompanied by intramolecular charge transfer. Intense electron transitions from fluorescent level S1 to higher electron-excitation levels are absent over the range of the absorption and fluorescence bands.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 5, pp. 609–615 May, 1980
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Ustenko, A.A., Zvolinskii, V.P., Vernigor, E.M. et al. Quantum-chemical study of the electronic structures and spectral properties of oxazole analogs of 1,4-distyrylbenzene and the isomeric distyrylnaphthalenes. Chem Heterocycl Compd 16, 468–474 (1980). https://doi.org/10.1007/BF00561342
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DOI: https://doi.org/10.1007/BF00561342