We report a joint experimental and theoretical study of circular dichroism in the valence photoelectron spectra of a free chiral molecule. The circular dichroism in photoelectron spectroscopy is measured at the magic angle for various valence states of Rs+d and Ss−d methyl-oxirane enantiomers in the vapor phase. The maximum dichroism measured is about 5310−2. Experimental and theoretical results are in agreement. The ab initio calculation employs a multicentric basis set of B-spline functions and a Kohn-Sham Hamiltonian.
Circular Dichroism in photoelectron spectroscopy of Free Chiral Molecules: Experiment and Theory on Methyl-oxirane / Turchini, S., Zema, N., Contini, G., Alberti, G., Alagia, M., Stranges, S., Fronzoni, G., Stener, M., Decleva, P., Prosperi, T.. - In: PHYSICAL REVIEW A. - ISSN 1050-2947. - STAMPA. - 70:(2004), pp. 014502-1-014502-4. [10.1103/PhysRevA.70.014502]
Circular Dichroism in photoelectron spectroscopy of Free Chiral Molecules: Experiment and Theory on Methyl-oxirane
FRONZONI, GIOVANNA;STENER, MAURO;DECLEVA, PIETRO;
2004-01-01
Abstract
We report a joint experimental and theoretical study of circular dichroism in the valence photoelectron spectra of a free chiral molecule. The circular dichroism in photoelectron spectroscopy is measured at the magic angle for various valence states of Rs+d and Ss−d methyl-oxirane enantiomers in the vapor phase. The maximum dichroism measured is about 5310−2. Experimental and theoretical results are in agreement. The ab initio calculation employs a multicentric basis set of B-spline functions and a Kohn-Sham Hamiltonian.Pubblicazioni consigliate
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