Electronic absorption spectra and π-electron structure of 2-propenylidene-1,2-dihydropyridine and its derivatives

Josef Kuthan; Dušan Ilavský; Jiří Krechl

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Collection of Czechoslovak Chemical Communications

Article . 1979 . Peer-reviewed

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https://dx.doi.org/10.1135/ccc...

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Electronic absorption spectra and π-electron structure of 2-propenylidene-1,2-dihydropyridine and its derivatives

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1979 English Publisher:Institute of Organic Chemistry & BiochemistryJournal:Collection of Czechoslovak Chemical Communications, volume 44, pages 884-894 (issn: 0010-0765, eissn: 1212-6950,

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Authors: Josef Kuthan; Dušan Ilavský; Jiří Krechl;

doi: 10.1135/cccc19790884

Electronic absorption spectra and π-electron structure of 2-propenylidene-1,2-dihydropyridine and its derivatives

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Abstract

The results of the PPP calculations of the singlet-singlet transitions of 1-methyl-3'-cyano-3'-alkoxycarbonyl-2-propenylidene-1,2-dihydropyridines II and 1-methyl-4-amino-3,3'-dicyano-3',5-di(methoxycarbonyl)-2-propenylidene-1,2-dihydropyridine (III) are in a satisfactory agreement with the experimental absorption curves in the visible and near ultraviolet region. Based on this finding, the absorption of the parent heterocyclic system of 2-propenylidene-1,2-dihydropyridine (I) is predicted. Some aspects of the π-electron structure of the substances I-III in the S0, S1 S2 and states are discussed.

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Institute of Chemical Technology
India

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