Single and double photoionizations of methanal (formaldehyde) |
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Authors: | Hochlaf M Eland J H D |
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Institution: | Theoretical Chemistry Group, University of Marne-la-Vallée, Champs sur Marne, F-77454 Marne-la-Vallée, Cedex 2, France. hochlaf@univ-mlv.fr |
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Abstract: | Single and double photoionization spectra of formaldehyde have been measured at 40.81 and 48.37 eV photon energy and the spectrum of the doubly charged cation has been interpreted using high-level electronic structure calculations. The adiabatic double-ionization energy is determined as 31.7+/-0.25 eV and the vertical ionization energy is 33 eV. The five lowest excited electronic states are identified and located. The potential-energy surfaces of the accessible states explain the lack of stable H2CO2+ dications and the lack of vibrational structure. The experimental double-ionization spectrum can be decomposed into two distinct contributions, one from direct photoionization and the second from indirect double photoionization by an inner-valence shell Auger effect. |
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