Photoelectron spectroscopy of azulenes

The photoelectron spectra of azulene and ten of its derivatives (halo-, methyl-, phenyl-, acetyl- and benzoylazulenes) are presented and assigned. Assignments based on a composite-molecule view are validated by computations (CNDO/S). Conjugative interactions in the phenylazulenes lead to an inversio...

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Bibliographic Details
Published in:Journal of electron spectroscopy and related phenomena 1980, Vol.19 (1), p.21-33
Main Authors: Dougherty, D., Lewis, J., Nauman, R.V., McGlynn, S.P.
Format: Article
Language:English
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Summary:The photoelectron spectra of azulene and ten of its derivatives (halo-, methyl-, phenyl-, acetyl- and benzoylazulenes) are presented and assigned. Assignments based on a composite-molecule view are validated by computations (CNDO/S). Conjugative interactions in the phenylazulenes lead to an inversion of the usual order of the two phenyl group e 1g component orbitals. Many of the azulenes have very low ionization energies, and it is suggested that they constitute a class of excellent π-electron donor molecules.
ISSN:0368-2048
1873-2526
DOI:10.1016/0368-2048(80)80032-6