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Ionization potentials and bond energies of TiO, ZrO, NbO and MoO

1998; American Institute of Physics; Volume: 109; Issue: 20 Linguagem: Inglês

10.1063/1.477568

1520-9032

Hans‐Peter Loock, Benoît Simard, Sara Wallin, C. Linton,

Catalytic Processes in Materials Science

The adiabatic ionization potentials of TiO, ZrO, NbO, and MoO have been measured using two-color photoionization efficiency (PIE) spectroscopy and mass-analyzed threshold ionization (MATI). From the sharp ionization thresholds in the PIE and MATI spectra the following ionization potentials were derived: IP(TiO)=6.8197(7) eV, IP(ZrO)=6.812(2) eV, IP(NbO)=7.154(1) eV, and IP(MoO)=7.4504(5) eV. These values have been combined with the ionization potentials of the metal atoms and the bond energies of the transition metal oxide cations, D0(MO+) [M. R. Sievers et al., J. Chem. Phys. 105, 6322 (1996)] to derive the bond energies, D0(MO), of the neutral metal monoxides; D0(TiO)=6.87(7) eV, D0(ZrO)=7.94(11) eV, D0(NbO)=7.53(11) eV, D0(MO)=5.44(4) eV. It is argued that these values are more accurate than the currently accepted values and hence are recommended for future work. Experimental evidence suggests that the ground state of MoO+ is the Σ−4 state arising from the δ2σ1 configuration.