Synthesis, characterization and density functional theory investigations of the electronic, photophysical and charge transfer properties of donor–bridge–acceptor …

AG Al-Sehemi, A Irfan, AM Fouda

文献索引：Al-Sehemi, Abdullah G.; Irfan, Ahmad; Fouda, Ahmed M. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2013 , vol. 111, p. 223 - 229

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被引用次数: 17

摘要

We have synthesized multifunctional dyes 3-(4-methyl-phenylazo)-6-(4-nitro-phenylazo)-2, 5, 7-triaminopyrazolo [1, 5-a] pyrimidine (4a) and 3-(4-methyl-phenylazo)-6-(4-acetyl- phenylazo)-2, 5, 7-triaminopyrazolo [1, 5-a] pyrimidine (4b), then characterized by IR, 1H NMR and 13C NMR techniques. The ground state geometries have been computed by using density functional theory at B3LYP/6-31G∗ level of theory. The absorption spectra ...