MARVEL Analysis of the Measured High-resolution Rovibronic Spectra of 48Ti16O

Accurate, experimental rovibronic energy levels, with associated labels and uncertainties, are reported for 11 low-lying electronic states of the diatomic ${}^{48}{\mathrm{Ti}}^{16}{\rm{O}}$ molecule, determined using the Marvel (Measured Active Rotational-Vibrational Energy Levels) algorithm. All levels are based on lines corresponding to critically reviewed and validated high-resolution experimental spectra taken from 24 literature sources. The transition data are in the 2–22,160 cm−1 region. Out of the 49,679 measured transitions, 43,885 are triplet–triplet, 5710 are singlet–singlet, and 84 are triplet–singlet transitions. A careful analysis of the resulting experimental spectroscopic network (SN) allows 48,590 transitions to be validated. The transitions determine 93 vibrational band origins of ${}^{48}{\mathrm{Ti}}^{16}{\rm{O}}$, including 71 triplet and 22 singlet ones. There are 276 (73) triplet–triplet (singlet–singlet) band-heads derived from Marvel experimental energies, 123(38) of which have never been assigned in low- or high-resolution experiments. The highest J value, where J stands for the total angular momentum, for which an energy level is validated is 163. The number of experimentally derived triplet and singlet ${}^{48}{\mathrm{Ti}}^{16}{\rm{O}}$ rovibrational energy levels is 8682 and 1882, respectively. The lists of validated lines and levels for ${}^{48}{\mathrm{Ti}}^{16}{\rm{O}}$ are deposited in the supporting information to this paper.