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- W2041460133 abstract "Using extended Hückel molecular orbital wavefunctions, the intensities of the first electronic transitions in naphthalene and anthracene have been computed; they are predicted to be either π → π∗ or σ → π∗. The intensities of the π → π∗ transitions are found to agree reasonably well with the experimental values, while all of the σ → π∗ transitions are computed to have considerably smaller intensities. These latter transitions are thus masked by the more intense π → π∗ bands, which fact explains why they have not been detected so far. The small magnitude of their oscillator strengths is explained by the fact that the higher occupied σ orbitals in aromatic hydrocarbons contain very small contributions from the carbon 2s orbitals." @default.
- W2041460133 created "2016-06-24" @default.
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- W2041460133 date "1971-03-01" @default.
- W2041460133 modified "2023-09-27" @default.
- W2041460133 title "On transitions in aromatic hydrocarbons" @default.
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- W2041460133 doi "https://doi.org/10.1016/0022-2852(71)90170-6" @default.
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