Lower energy structures of the In+–Ar n (n = 1, 2) and In+–He complexes. In each case, the binding energy (D 0) of the rare gas atom and the perpendicular distance from the rare gas atom to the molecular plane are shown.
Electronic spectrum of In+–Ar recorded by monitoring In+ photofragments. An expanded view of the D2 ← D0 band system is given in Fig. 4 .
Molecular orbitals involved in the D2 ← D0 transition of In+ (top), along with calculated equilibrium geometries for D0 and D2 electronic states (bottom).
Experimental and simulated D2 ← D0 spectra for In+–Ar (top) and In+–He (bottom). Peaks in the simulated spectra were assumed to be Gaussians with FWHMs of 35 cm−1 for In+–Ar and 15 cm−1 for In+–He. Fully assigned spectra are provided in the supplementary material. 48
Franck-Condon active vibrational modes for the D2 ← D0 transition of In+.
Experimental origin transition energies of In+ and calculated TD-DFT vertical (adiabatic) transition energies and oscillator strengths (f) of In+ and isomer B (see Table II ).
Energies of various C9H8 + isomers relative to In+ (isomer A).
Measured transition frequencies (cm−1) and assignments for In+–He and In+–Ar. Estimated uncertainties for the D2 ← D0 transitions are ±15 cm−1 and for the D4 ← D0 transitions are ±25 cm−1. Also listed are calculated vibrational frequencies for In+ in the D2 state.
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