Spectroscopic investigations of dehydroepiandrosterone. Part II: Photoelectron spectrum and electronic structure.
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.
Bhacca
N S
NS
Department of Chemistry, Louisiana State University, Baton Rouge 70803, USA.
Klasinc
L
L
Kovac
B
B
Mihanic
K
K
D000738:Androsterone / Q000737:chemistry*; D003687:Dehydroepiandrosterone / Q000737:chemistry*; D004583:Electrons; D008958:Models, Molecular; D015394:Molecular Structure; D013057:Spectrum Analysis / Q000379:methods*
D003687:Dehydroepiandrosterone; D000738:Androsterone