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 (1)Sigma(+) 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(3d(1)4s(2) (2)D) + N((2)D). (C) 2010 Elsevier B.V. All rights reserved.