Orbital momentum distributions and binding energies for the complete valence shell of molecular chlorine by electron momentum spectroscopy |
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| Institution: | 1. School of Physical Sciences, The Flinders University of South Australia, Bedford Park, S.A. 5042, Australia;2. Department of Chemistry, University of British Columbia, Vancouver, B.C., Canada V6T 1Y6;3. Optics Department, Indian Association for the Cultivation of Science, Jadavpur, Calcutta 700032, India;4. Institut für Physikalische Chemie, Technische Universität, Braunschweig, D-3300 Braunschweig, FRG;5. Dipartimento di Chimica, Universita di Perugia, Perugia, Italy;1. Institut für Biochemie, Ernst-Moritz-Arndt-Universität Greifswald, Felix-Hausdorff-Str. 4, D-17489 Greifswald, Germany;2. Institut für Anorganische und Analytische Chemie der Technischen Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany;3. Institut für Anorganische Chemie, Universität Göttingen, Tammannstr. 4, 37077 Göttingen, Germany;1. Institute of Organic and Biomolecular Chemistry, University of Göttingen, Göttingen, Germany;2. Institute of Organic Chemistry, Technical University Braunschweig, Braunschweig, Germany;3. Faculty of Biology and BIOSS-Centre for Biological Signalling Studies, University of Freiburg, Freiburg, Germany;1. Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026, China;2. School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710119, China;1. Institute of Physics and Technology, National Research Tomsk Polytechnic University, Tomsk 634050, Russia;2. Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D-38106 Braunschweig, Germany;1. Institute of Physics and Technology, National Research Tomsk Polytechnic University, Tomsk 634050, Russia;2. Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D-38106, Braunschweig, Germany;1. Institute of Physics and Technology, National Research Tomsk Polytechnic University, Tomsk 634050, Russia;2. Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, D-38106 Braunschweig, Germany |
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| Abstract: | The complete valence shall binding energy spectrum (10–50 eV) of Cl2 has been determined using electron momentum (binary (e,2e)) spectroscopy. The inner valence region, corresponding to 4σu and 4σg ionization, has been measured for the first time and shows extensive splitting of the ionization strength due to electron correlation effects. These measurements are compared with the results of many-body calculations using Green function and CI methods employing unpolarised as well as polarised wavefunctions. Momentum distributions, measured in both the outer and inner valence regions, are compared with calculations using a range of unpolarised and polarised wavefunctions. Computed orbital density maps in momentum and position space for oriented Cl2 molecules are discussed in comparison with the measured and calculated spherically averaged momentum distributions. |
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