The dynamical behavior of circular dichroism for valence photoionization processes in pure enantiomers of randomly oriented methyl-oxirane molecules has been studied by circularly polarized synchrotron radiation. Experimental results of the dichroism coefficient obtained for valence photoionization processes as a function of photon energy have been compared with theoretical values predicted by state-of-the-art ab initio density-functional theory. The circular dichroism measured at low electron kinetic energies was as large as 11%. Trends in the experimental dynamical behavior of the dichroism coefficients D(i)(omega) have been observed. Agreement between experimental and theoretical results permits unambiguous identification of the enantiomer and of the individual orbitals.

We report the first observation of natural circular dichroism (CD) in the x-ray region. Measurements at the Nd L 3 edge in single crystals of Na 3 Nd͑digly͒ 3 ? 2NaBF 4 ? 6H 2 O show CD with a dissymmetry factor g ഠ 10 23 of the same order of magnitude as observed in the visible-uv region and ϳ100 times greater than in the vibrational infrared. Calculations using multiple scattering theory (MST) are in excellent agreement with the measured CD in the near-edge region (about 100 eV from the rising edge) and show that the effect arises from the electric dipole-electric quadrupole interference mechanism.[S0031-9007(98)06201-2]

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

A photoelectron circular dichroism (CD) study of the valence states of 2-amino-1-propanol (alaninol) in the gas phase is presented. The aim of the investigation is to reveal conformer population effects in the valence-state photoelectron spectrum. The experimental dispersion of the dichroic D parameter of valence states as a function of the photon excitation energy is compared with its theoretical value calculated by employing a multicentric basis set of B-spline functions and a Kohn-Sham Hamiltonian. The theoretical values are in very good agreement with the experimental data when the conformer population distribution is taken into account. Moreover, thanks to a comparison between experiment and theory, a clear assignment of the molecular orbital character and conformer geometry is given to the features of the photoelectron spectrum. This work indicates in a detailed experimental analysis that CD in photoelectron spectroscopy is an effective technique to disentangle the conformer assignment in photoelectron spectra.

A dedicated beamline with a broad energy range of photons and with high flux and a high degree of circular polarization has been designed for the ELETTRA storage ring. The beamline exploits the circularly polarized radiation produced by an electromagnetic elliptical wiggler and cover the (5–1200) eV photon energy range using a double-incidence spherical grating monochromator.