Abstract
By spectral and quantum chemical methods the nature of the electron transitions in three types of linear conjugated compounds including polyenes, their dications, and polymethine cations containing indolenine and 2,6-diphenylthiopyrylium residues as terminal groups were studied. It was shown that in going from neutral molecules to polymethine cations and polyene-dications a regular downward shift of the energy gap occurred and the decrease in interaction of orbitals of the terminal donor residues. Due to that the electron transitions in polyene dications are degenerate and have high energy in contrast to the deeply colored dications of polymethine dyes.
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Original Russian Text © A.D. Mel’nik, A.D. Kachkovskii, M.A. Kudinova, A.I. Tolmachev, 2009, published in Zhurnal Obshchei Khimii, 2009, Vol. 79, No. 11, pp. 1871–1879.
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Mel’nik, A.D., Kachkovskii, A.D., Kudinova, M.A. et al. Formation of frontier orbitals and the nature of electron transitions in dication-polyenes, analogs of cyanine dyes. Russ J Gen Chem 79, 2393–2401 (2009). https://doi.org/10.1134/S1070363209110188
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DOI: https://doi.org/10.1134/S1070363209110188