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 $\gamma$ and the Born–Oppenheimer correction coefficient ${\mathrm{\Delta }}_{{\mathrm{U}}_{10}}^{\mathrm{Ti}}$ for the first time. The parameter set enables to calculate the Born–Oppenheimer correction coefficients ${\mathrm{\Delta }}_{{\mathrm{U}}_{02}}^{\mathrm{Ti}}$ and ${\mathrm{\Delta }}_{{\mathrm{U}}_{02}}^{\mathrm{O}}$. In addition, the vibrational transition moments for the observed vibrational transitions are reported.

在这项研究中，我们提出了1000 cm ^-1附近的双原子分子TiO的旋转振动气相色谱。通过在气态一氧化二氮气氛中蒸发纯钛样品，在激光烧蚀源中产生分子。含有TiO的绝热膨胀气体形成了超音速射流，并通过来自量子级联激光器的红外辐射垂直于其传播方向进行了探测。^46-50 TiO的基本带和^48的振动热带TiO被鉴定和分析。在质量独立的拟合过程中，将新的红外数据与文献中的纯旋转和电子跃迁相结合，可以获得类似Dunham的参数设置。从当前数据集中，多同位素分析可以确定自旋-旋转耦合常数$\gamma$ 和Born–Oppenheimer校正系数 ${\mathrm{\Delta }}_{{\mathrm{ü}}_{10}}^{\mathrm{钛}}$首次。该参数集可以计算Born–Oppenheimer校正系数${\mathrm{\Delta }}_{{\mathrm{ü}}_{02}}^{\mathrm{钛}}$ 和 ${\mathrm{\Delta }}_{{\mathrm{ü}}_{02}}^{\mathrm{Ø}}$。此外，还报告了观察到的振动跃迁的振动跃迁。