Abstract
The results of calculations by the self-consistent field (SCF) MO Pariser-Parr-Pople (PPP) method explain the nature of the electron transitions responsible for the electronic absorption spectra of 1, 3, 5-triphenylpyrazoline and its perfluorophenyl derivatives. The perfluorophenyl group behaves like a strong electron donor in the excited states. According to the results of the calculation, a perfluorophenyl group in the 1 position of the pyrazoline ring deviates markedly from the planar conformation.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 5, pp. 669–672, May, 1978.
The authors thank B. Ya. Simkin for his useful discussion.
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Natanzon, V.I., Pereyaslova, D.G. & Skripkina, V.T. Effect of perfluorophenyl groups on the nature of the electronic absorption spectra of 1, 3, 5-triaryl-Δ2-pyrazolines. Chem Heterocycl Compd 14, 549–552 (1978). https://doi.org/10.1007/BF00673342
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DOI: https://doi.org/10.1007/BF00673342