Guided Ion Beam Studies of the Dy + O → DyO + + e - Chemi-ionization Reaction Thermochemistry and Dysprosium Oxide, Carbide, Sulfide, Dioxide, and Sulfoxide Cation Bond Energies.
Maryam GhiasseeElizabeth G ChristensenTalley FennPeter B ArmentroutPublished in: The journal of physical chemistry. A (2022)
Guided ion beam tandem mass spectrometry (GIBMS) was used to measure the kinetic energy dependent product ion cross sections for reactions of the lanthanide metal dysprosium cation (Dy + ) with O 2 , SO 2 , and CO and reactions of DyO + with CO, O 2 , and Xe. DyO + is formed through an exothermic process when Dy + reacts with O 2 , whereas all other processes observed are found to be endothermic. The kinetic energy dependences of these cross sections were analyzed to yield 0 K bond dissociation energies (BDEs) for DyO + , DyC + , DyS + , DyO 2 + , and DySO + . The 0 K BDE for DyO + is determined to be 5.60 ± 0.02 eV from the weighted average of six independent thresholds, which are dominated by the slightly endothermic reaction of Dy + with SO 2 . Combined with the well-established Dy ionization energy (IE), this value indicates that the chemi-ionization reaction, Dy + O → DyO + + e - , is endothermic by 0.33 ± 0.02 eV. Theoretical BDEs for Dy + -O, Dy + -C, Dy + -S, ODy + -O, and Dy + -SO were calculated at several levels of theory and basis sets for comparison with experiment with reasonable agreement achieved.