Electronic structure of ScN: Jet-cooled laser-induced fluorescence spectroscopy

Jet-cooled spectra of ScN molecules were observed in the range 19 300–21 800 cm−1 using laser-induced fluorescence spectroscopy. The spectra showed nine vibronic bands belonging to three systems. Rotational analysis confirmed 1Σ+ symmetry for the ground state and also identified three new excited electronic states B1, C1, and D1, respectively, at 20150.3(1), 20184.4(1) and 21774.6(1) cm−1. The fundamental vibration in the ground state was measured to be 794.1(1) cm−1. The identity of the newly observed states cannot be corroborated using existing ab initio results and demand more rigorous calculations taking into account excited asymptotes, in particular Sc(3d14s2 2D) + N(2D).