Direct determination of the ionization energies of FeO and CuO with VUV radiation

J Chem Phys. 2005 Sep 15;123(11):114313. doi: 10.1063/1.2032947.

Abstract

Photoionization efficiency curves were measured for gas-phase FeO and CuO using tunable vacuum-ultraviolet radiation at the Advanced Light Source. The molecules are prepared using laser ablation of a metal-oxide powder in a novel high-repetition-rate source and are thermally moderated in a supersonic expansion. These measurements provide the first directly measured ionization energy for CuO, IE(CuO)=9.41 +/- 0.01 eV. The direct measurement also gives a greatly improved ionization energy for FeO, IE(FeO) = 8.56 +/- 0.01 eV. The ionization energy connects the dissociation energies of the neutral and cation, leading to a refined bond strength for the FeO cation: D0(Fe(+)-O)=3.52 +/- 0.02 eV. A dramatic increase in the photoionization cross section at energies of 0.36 eV above the threshold ionization energy is assigned to autoionization and direct ionization involving one or more low-lying quartet states of FeO+. The interaction between the sextet ground state and low-lying quartet states of FeO+ is key to understanding the oxidation of hydrogen and methane by FeO+, and these experiments provide the first experimental observation of the low-lying quartet states of FeO+.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computer Simulation
  • Copper / chemistry*
  • Copper / radiation effects*
  • Ferric Compounds / chemistry*
  • Ferric Compounds / radiation effects*
  • Linear Energy Transfer
  • Models, Chemical*
  • Models, Molecular*
  • Radiation Dosage
  • Radiation, Ionizing
  • Ultraviolet Rays

Substances

  • Ferric Compounds
  • ferric oxide
  • Copper
  • cupric oxide