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Spectroscopic investigations of dehydroepiandrosterone. Part II: Photoelectron spectrum and electronic structure
N S Bhacca1, L Klasinc, B Kovac
1Department of Chemistry, Louisiana State University, Baton Rouge 70803, USA.
Abstract:
The gas phase electronic structure of dehydroepiandrosterone (3 beta-hydroxy-5 alpha-androstene-17-one, DHEA) is elucidated from its Het photoelectron spectrum, quantum chemical calculations, and correlation with spectra of the related molecules 5 alpha-androstene-17-one (I) and epiandrosterone (3 beta-hydroxy-5 alpha-androstane-17-one) (2). The lowest ionization energy event in DHEA is shown to correspond to a pi-ionization energy of approximately 8.5 eV, followed closely and overlapped in part by the carbonyl lone pair ionization at 8.7 eV.
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