Abstract

In this study, we present the ro-vibrationally resolved gas-phase spectrum of the diatomic molecule TiO around 1000 cm−1. Molecules were produced in a laser ablation source by vaporizing a pure titanium sample in the atmosphere of gaseous nitrous oxide. Adiabatically expanded gas, containing TiO, formed a supersonic jet and was probed perpendicularly to its propagation by infrared radiation from quantum cascade lasers. Fundamental bands of 46-50TiO and vibrational hotbands of 48TiO are identified and analyzed. In a mass-independent fitting procedure combining the new infrared data with pure rotational and electronic transitions from the literature, a Dunham-like parameterization is obtained. From the present data set, the multi-isotopic analysis allows to determine the spin-rotation coupling constant γ and the Born–Oppenheimer correction coefficient ΔU10Ti for the first time. The parameter set enables to calculate the Born–Oppenheimer correction coefficients ΔU02Ti and ΔU02O. In addition, the vibrational transition moments for the observed vibrational transitions are reported.

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