The Rotationally Resolved Infrared Spectrum of TiO and Its Isotopologues
arXiv:2105.12556 · doi:10.1016/j.jms.2021.111439
Abstract
In this study, we present the ro-vibrationally resolved gas-phase spectrum of the diatomic molecule TiO around 1000\,cm. 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 TiO and vibrational hotbands of TiO 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 and the Born-Oppenheimer correction coefficient for the first time. The parameter set enables to calculate the Born-Oppenheimer correction coefficients and . In addition, the vibrational transition moments for the observed vibrational transitions are reported.
arXiv comment2 figures
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