Adiabatic and vertical carbon 1s ionization energies in representative small molecules |
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| Institution: | 1. Department of Chemistry, University of Bergen, N-5007 Bergen, Norway;2. Advanced Light Source, Lawrence Berkeley National Laboratory, University of California, Berkeley, CA 94720, USA;3. Department of Physics, University of Oulu, FIN-90570 Oulu, Finland;4. Department of Chemistry, Oregon State University, Corvallis, OR 97331-4003, USA;1. Université d’Evry Val d’Essonne, Laboratoire Analyse et Modélisation pour la Biologie et l’Environnement, LAMBE CNRS UMR 8587, Boulevard F. Mitterrand, 91025 Evry Cedex, France;2. Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée, France;1. Institut de Chimie des Substances Naturelles, UPR2301, CNRS, Avenue de la Terrasse, 91198 Gif-sur-Yvette, France;2. DISCO Beamline, Synchrotron SOLEIL, L’Orme des Merisiers, Saint-Aubin, 91192 Gif-sur-Yvette, France;3. UAR 1008 CEPIA, INRA, Rue de la Géraudière, F-44316 Nantes, France;1. Institute of Solid State Physics, University of Latvia, 8 Kengaraga Street, Riga LV-1063, Latvia;2. Institute of Applied Chemistry, Riga Technical University, 14/24 Azenes Street, Riga LV-1048, Latvia;1. School of Mathematics, Indian Institute of Science Education and Research, CET Campus, Thiruvananthapuram, Kerala 695016, India;2. S. N. Bose National Centre for Basic Sciences, Block JD, Sector III, Salt Lake, Kolkata 700098, West Bengal, India;3. Department of Mathematics, Louisiana State University, Baton Rouge, LA 70803, USA |
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| Abstract: | Adiabatic and vertical carbon 1s ionization energies are reported for methane (CH4), ethane (CH3CH3), ethene (CH2CH2), ethyne (HCCH), carbon monoxide (CO), carbon dioxide (CO2), fluoromethane (CH3F), trifluoromethane (CHF3), and tetrafluoromethane (CF4) with an absolute accuracy of about 0.03 eV. The results are in good agreement with earlier values but are measured with higher resolution and accuracy than has previously been available. |
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