Journal article
X-ray absorption spectroscopy of the chiral molecules fenchone, alpha-pinene, limonene and carvone in the C1s excitation region
Publication Details
Authors: | Ozga, C.; Jänkälä, K.; Schmidt, P.; Hans, A.; Reiss, P.; Ehresmann, A.; Knie, A. |
Publisher: | ELSEVIER SCIENCE BV |
Publication year: | 2016 |
Journal: | Journal of Electron Spectroscopy and Related Phenomena |
Pages range : | 34-37 |
Volume number: | 207 |
Start page: | 34 |
End page: | 37 |
Number of pages: | 4 |
ISSN: | 0368-2048 |
DOI-Link der Erstveröffentlichung: |
Abstract
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.
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.
Keywords
Absorption, Chirality, Fluorescence spectroscopy, Synchrotron radiation, TD-DFT
