title: Ground electronic states of RbO2+, CsO2+ and FrO2: the ionization energies of RbO2 and CsO2.
abstract: Calculations are performed to establish the ground electronic states of RbO2+, CsO2+, and FrO2. In the case of the cations, both linear and C2v orientations were considered; for FrO2, the two lowest electronic states, 2A2 and 2B2, were considered in C2v symmetry. In addition, calculations were also performed on the x2 A2 ground states of RbO2 and CsO2 to derive ionization energies. Binding energies and heats of formation are also derived. The bonding in FrO2 is found to be less ionic than that of RbO2 and CsO2.
authors.affiliation: School of Chemistry, University of Southampton, Highfield, Southampton, UK, SO17 1BJ. E.P.Lee@soton.ac.uk
authors.forename: Edmond P F
authors.initials: EP
authors.lastname: Lee
authors.forename: Timothy G
authors.initials: TG
authors.lastname: Wright
mesh_terms: D002586:Cesium / Q000737:chemistry*; D004563:Electrochemistry; D005605:Francium / Q000737:chemistry*; D007477:Ions / Q000737:chemistry; D010087:Oxides / Q000737:chemistry*; D012413:Rubidium / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D007477:Ions; D010087:Oxides; D005605:Francium; D002586:Cesium; D012413:Rubidium