Abstract
The He(I) photoelectron spectra of benzo-2,1,3-thia- and -selenadiazoles and their perfluoro derivatives were measured and interpreted on the basis of calculations by the MNDO method, the π-fluoro effect, and an analysis of the vibrational structures and relative intensities of the bands. It was observed that replacement of the sulfur atom by a selenium atom leads to only slight changes in the ionization energies of the π MO. This confirms the previous conclusion that replacement of one chalcogen by another has a small effect on the π-electron structures of the molecules of these heteroaromatic compounds.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 563–567, April, 1991.
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Petrachenko, N.E., Vovna, V.I., Zibarev, A.V. et al. Aryleneazachalcogenenes. 2. Photoelectron spectra and electron structures of benzo-2,1,3-thia- and-selenadiazoles and their perfluoro derivatives. Chem Heterocycl Compd 27, 451–454 (1991). https://doi.org/10.1007/BF00480850
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DOI: https://doi.org/10.1007/BF00480850