title: Infrared photodissociation spectroscopy of oxygen-rich Fe(O2)n(+) (n = 3-5) cation complexes.
abstract: Infrared spectra of mass-selected oxygen-rich iron dioxygen complexes Fe(O2)n(+) with n = 3-5 are measured via infrared photodissociation spectroscopy in the gas phase. These cation complexes are produced via a laser vaporization supersonic ion source. The structures are established by comparison of the experimental spectra with the simulated spectra derived from density functional calculations. All of the Fe(O2)n(+) complexes studied have a single IR-active band in the 1050-1100 cm(-1) region, arising from the O-O stretching vibration of the superoxo ligand(s). These complexes are determined to have structures with a chemically bound Fe(O2)2(+) core ion that is weakly coordinated by neutral O2 molecules. The Fe(O2)2(+) core ion has a planar D2h symmetry with two equivalent side-on superoxo ligands bound to an Fe(3+) cation center.
authors.affiliation: Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Fudan University , Shanghai 200433, China.
authors.forename: Caixia
authors.initials: C
authors.lastname: Wang
authors.forename: Jiwen
authors.initials: J
authors.lastname: Jian
authors.forename: Guanjun
authors.initials: G
authors.lastname: Wang
authors.forename: Zhen Hua
authors.initials: ZH
authors.lastname: Li
authors.forename: Mingfei
authors.initials: M
authors.lastname: Zhou
mesh_terms: D002412:Cations / Q000737:chemistry*; D056831:Coordination Complexes / Q000737:chemistry*; D005290:Ferric Compounds / Q000737:chemistry*; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D010100:Oxygen / Q000737:chemistry*; D013055:Spectrophotometry, Infrared / Q000379:methods*
chemical_list: D002412:Cations; D056831:Coordination Complexes; D005290:Ferric Compounds; C000499:ferric oxide; D010100:Oxygen