Gallium oxide and dioxide: Investigation of the ground and low-lying electronic states via anion photoelectron spectroscopy

摘要

The GaO and GaO2 molecules were investigated using negative ion photoelectron spectroscopy. All the photoelectron spectra showed vibrationally resolved progressions. With the aid of electronic structure calculations and Franck-Condon spectral simulations, different molecular parameters and energetics of GaO-/GaO and GaO2-/GaO2 were determined, including the electron affinity of GaO, the vibrational frequency of GaO-, and the term energy, spin-orbit splitting, and vibrational frequency for the first excited A (2)Pi(Omega) state of GaO. The GaO2- photoelectron spectra comprised three bands assigned as transitions from the linear X (1)Sigma(g)(+) ground state of GaO2- to three linear neutral states: the A (2)Pi(g), B (2)Pi(u), and C (2)Sigma(u)(+) states. The symmetric stretch frequencies of the anion and three neutral states as well as the spin-orbit splitting of the neutral (2)Pi states were determined. Electronic structure calculations found the neutral lowest energy linear structure to be only 63 meV higher than the neutral bent geometry. (C) 2005 American Institute of Physics.