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dc.contributor.authorWang, Peng
dc.contributor.authorCarroll, Thomas X.
dc.contributor.authorThomas, T. Darrah
dc.contributor.authorSæthre, Leif J
dc.contributor.authorBørve, Knut J.
dc.description.abstractAccess to accurate reference data is a prerequisite in order to translate chemical shifts to an absolute scale for inner-shell ionization energies. Calibration standards for oxygen 1s (O 1s) ionization energies are less well established than, for instance, for carbon 1s. To improve upon this situation, adiabatic and vertical O 1s ionization energies for gaseous carbon dioxide (CO2) are critically reviewed and used to establish the most accurate values currently available: 541.085(17) and 541.253(17) eV, respectively. Combining these with new precise measurements of shifts in O 1s ionization energies for H2O, CO, and O2 allows us to establish equally accurate absolute ionization energies for these molecules as for CO2. The resulting adiabatic and vertical energies are 539.728(17) and 539.827(17) eV for H2O, 542.439(17) and 542.495(17) eV for CO, 543.285(17) and 543.294(17) eV for O2 (4Σ final state), and 544.338(17) and 544.423(17) eV for O2 (2Σ final state). It is proposed that O 1s in CO2 be adopted as a standard of higher precedence, and that H2O, CO, and O2 be used also. The O 1s ionization energies in these molecules occur in the range 540–543 eV. These proposed standards should provide optimal internal calibration for a wide range of oxygen-containing compounds.en_US
dc.rightsNavngivelse 4.0 Internasjonal*
dc.titleCalibration of oxygen 1s ionization energies. Accurate energies for CO2, H2O, CO, and O2en_US
dc.typeJournal articleen_US
dc.typePeer revieweden_US
dc.rights.holderCopyright 2021 The Author(s)en_US
dc.source.journalJournal of Electron Spectroscopy and Related Phenomenaen_US
dc.relation.projectNorges forskningsråd: 205512en_US
dc.identifier.citationJournal of Electron Spectroscopy and Related Phenomena. 2021, 251, 147103.en_US

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Navngivelse 4.0 Internasjonal
Except where otherwise noted, this item's license is described as Navngivelse 4.0 Internasjonal