Photoelectron spectroscopy of FeO and FeO2 : Observation of low-spin excited states of FeO and determination of the electron affinity of FeO2
نویسندگان
چکیده
The photoelectron spectra of FeO and FeO2 2 are obtained at 3.49 eV photon energy. Transitions to the ground state ~D! and three low-lying excited states ~S, S, and D! of FeO are observed. The two low-spin excited states found at 6770 and 8310 cm above the ground state, respectively, have not been observed before. The two S states, characteristic of detachment of a nonbonding electron from the FeO anion, exhibit no vibrational progressions while a vibrational progression is observed for each of the two D states. The two high-spin states D and S are in agreement with a previous photoelectron study @P.C. Engelking and W. C. Lineberger, J. Chem. Phys. 66, 5054 ~1977!#. The D state has a vibrational frequency of 800 ~50! cm. The spectrum of FeO2 2 only shows one major feature with little vibrational structure at this photon energy. The electron affinity of FeO2 is determined to be 2.358 ~0.030! eV. © 1995 American Institute of Physics.
منابع مشابه
Reversible structural transformation of FeO(x) nanostructures on Pt under cycling redox conditions and its effect on oxidation catalysis.
Understanding dynamic changes of catalytically active nanostructures under reaction conditions is a pivotal challenge in catalysis research, which has been extensively addressed in metal nanoparticles but is less explored in supported oxide nanocatalysts. Here, structural changes of iron oxide (FeO(x)) nanostructures supported on Pt in a gaseous environment were examined by scanning tunneling m...
متن کاملDensity functional theory study of benzene oxidation over Fe-ZSM-5
In the presence of nitrous oxide, Fe-ZSM-5 is known to catalyze the partial oxidation of benzene to phenol with high selectivity. The active site for this reaction is thought to be a surface iron–oxo species generated upon dissociation of nitrous oxide and release of nitrogen. In this study, density functional theory calculations were used to explore possible pathways for benzene oxidation at a...
متن کاملFe+ and FeOS with Inorganic Ligands Containing Hydrogen, Nitrogen, and Oxygen
The coordination of the electronic ground states of Fe+ (6D) and FeO+ (6x+) has been investigated in the gas phase with the inorganic molecules H2, HD, D2, H20, CO, NO, N2, 02, C02, N02, and N20. Reaction rate coefficients and product distributions were measured with the Selected-Ion Flow Tube (SIFT) technique operating at 294 f 3 K and a helium buffer-gas pressure of 0.35 f 0.01 Torr. Except w...
متن کاملnd - m at . m tr l - sc i ] 1 8 A pr 2 00 4 Growth and spin - resolved photoelectron spectroscopy of the MgO / Fe ( 110 ) system
Electronic and structural properties of ultrathin MgO layers grown on epi-taxial Fe(110) films were investigated at room temperature by means of spin-resolved photoelectron spectroscopy, Auger-electron spectroscopy, and low energy electron diffraction. The spin polarization at the Fermi level of the Fe(110) film decreases abruptly with increasing thickness of MgO layer up to 7 ˚ A. This behavio...
متن کاملDensity Functional Study of FeO 2 , FeO + 2 , and FeO − 2 ALFONSO T . GARCÍA - SOSA , MIGUEL CASTRO
The lowest energy structures of FeO2 were determined by means of density functional theory techniques as implemented in the program DGauss 3.0.1. The calculations performed were of the all-electron type using two levels of theory, namely the local spin density approximation with the use of the Vosko–Wilk–Nusair (VWN) functional and the generalized gradient approximation (GGA) in the form of the...
متن کامل