MO LCAO calculations and the electronic spectra of the anions of cyclopent-4-ene-1,3-diones and indane-1,3-diones |
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Authors: | E Ya Gren G Ya Vanag |
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Institution: | (1) Institute of Organic Syntheses, AS Latvian SSR, Riga |
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Abstract: | The Hückel approximation in MO LCAO is used to show that the anion system of cyclopent-4-ene-1,3-dione should have two ![pgr](/content/vw26068l2x25q485/xxlarge960.gif) ![rarr](/content/vw26068l2x25q485/xxlarge8594.gif) * transitions: a weak one at long wavelengths, N V1, and a strong one at short wavelengths, C=C(1,3) V1. An ethylene, phenyl, or acyl group at position 2 gives rise to a new strong band, N C=C(2), N benz, or N C=O (2). A p-nitrophenyl group at position 2 gives rise to a strong N NO2 band, which overlaps the weak N V1 band, while the N benz band becomes weak and is virtually lost from the spectrum. |
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