X-ray absorption spectroscopy of the chiral molecules fenchone, α-pinene, limonene and carvone in the C1s excitation region

Relative ionization cross sections and fluorescence intensities as functions of the exciting-photon energy were recorded for the chiral molecules carvone, alpha-pinene, limonene and fenchone after excitation by monochromatized synchrotron radiation with energies of the exciting-photons between 284 eV and 289 eV. At selected exciting-photon energies dispersed fragment fluorescence spectra in the wavelength range between 365 nm and 505 nm were obtained. Time dependent density functional theory (TD-DFT) computations were performed to analyze the experimentally observed resonance-structures. Comparison of the computed and recorded spectra demonstrates the possibility of a predominant or even specific excitation of one particular stereocenter site in a molecule with more than one stereocenter. (C) 2015 Elsevier B.V. All rights reserved.