학술논문
The Rotationally Resolved Infrared Spectrum of TiO and Its Isotopologues
Document Type
Working Paper
Author
Source
Journal of Molecular Spectroscopy, Volume 377, 111439 (2021)
Subject
Language
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 $^{46-50}$TiO and vibrational hotbands of $^{48}$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 $\gamma$ and the Born-Oppenheimer correction coefficient $\Delta_{\rm U_{10}}^{\mathrm{Ti}}$ for the first time. The parameter set enables to calculate the Born-Oppenheimer correction coefficients $\Delta_{\rm U_{02}}^{\mathrm{Ti}}$ and $\Delta_{\rm U_{02}}^{\mathrm{O}}$. In addition, the vibrational transition moments for the observed vibrational transitions are reported.
Comment: 2 figures
Comment: 2 figures