Photoelectron images obtained from ZrSi anion at 2.33 eV and 3.49 eV photon energies. The double headed arrow signifies the direction of laser polarization.
Electron binding energy spectra for 2.33 eV experiment with angular filtering for angles 10°-25°, 50°-60°, and 52°-57°.
Electron binding energy spectra for 3.49 eV experiment with angular filtering for angles 10°-25°, 50°-60°, and 52°-57°.
Electron binding energy spectrum for the 2.33 eV experiment (upper panel) and the simulated FC spectrum (lower panel).
Orbital representation for 2σ orbital of ZrSi anion.
Schematic of the observed anion to neutral transitions.
Binding energies, β values, transitions, and detached orbital information for features X and A at 2.33 eV and 3.49 eV photon energies.
ZrSi neutral state bond lengths (r e ), frequencies (ω), and energies (Eh) obtained by B3LYP, HF, and MP2 level calculations. Bold signify the lowest energy.
Atomic orbital character of the 2σ and 1π molecular orbitals.
Article metrics loading...
Full text loading...