Vibronically resolved spectrum of 193Ir28Si, over the 18 000–19 000 cm−1 range. In this range, bands from the A-X, B-X, C-X, D-X, E-X, F-X, and G-X systems have been identified.
Band difference histogram plot for 193Ir28Si, showing the constructive accumulation of band differences at 533.4 cm−1, which is identified as ΔG1/2″ for this isotopic combination.
Isotope shift plot for the B-X system. Based on this plot, we believe the 17 955 cm−1 band is the 5-0 band, but it is possible that it is the 4-0 band.
Rotationally resolved spectrum of the 4-0 band of the C[16.0]3.5 ← X 2Δ5/2 system.
Rotationally resolved spectrum of the 0-0 band of the K[21.1]2.5 ← X 2Δ5/2 system.
Rotationally resolved spectrum of the 7-0 band of the B[16.0]1.5 ← X 2Δ5/2 system.
Schematic view of the valence molecular orbitals of IrSi computed at the CASSCF/CASPT2 level of theory.
Fitted spectroscopic constants for the observed band systems of 193Ir28Si.
Ground and excited electronic configurations and states of IrSi.
Computed excited states of IrSi at the CASSCF/CASPT2 level of theory, calculated at an internuclear separation of 2.1238 Å.
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