Abstract
The effect of the ionic composition and the concentration of the components of a mixed waterdimethylformamide medium on the π-electron structure of anion radicals of the nitrofuran series was studied. The formation of ion pairs with the cations and hydration of the anion radicals somewhat increase the hyperfine structure constants in their ESR spectra, especially those caused by the nitrogen atom of the nitro group, and this should be taken into account in high-accuracy quantum-chemical calculations. A mathematical description of the change in the hyperfine structure constants in mixed water-dimethylformamide media is given, and a number of empirical regularities that link the magnitudes of the constants with the electronic effects of substituants and media factors are presented.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 435–440, April, 1972.
See [1] for communication II.
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Gavar, R.A., Baumane, L.K., Stradyn', Y.P. et al. π-Electron structure of the nitrofuran system. Chem Heterocycl Compd 8, 397–401 (1972). https://doi.org/10.1007/BF00477405
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DOI: https://doi.org/10.1007/BF00477405