The jet-cooled laser-induced fluorescence spectra of ScO molecules have been investigated in the 24,500–27,400 cm⁻¹ region at 0.04 cm⁻¹ resolution. The ab initio predicted C²Π state in group IIIb transition metal oxide molecules, but heretofore undetected, was observed in ScO molecule in vibrations v = 0–3. In addition, the higher vibrational levels of the earlier reported A²Π and B²Σ⁺ states, respectively in v = 12–13 and v = 5–8 were also observed. The vibrational levels of these states energetically lie in proximity, resulting in perturbations between the B and C states. The deperturbation analysis of these bands are reported. Among the observed bands, the deperturbed band origin (BO) of the C²Π_1/2-X²Σ⁺ (0,0) sub-band was found to be only 6 cm⁻¹ above the BO of B²Σ⁺-X²Σ⁺ (6,0) band. The rotational transition wavenumbers involving the v = 0–3 levels of the C²Π_i state and the v = 5–8 levels of the B²Σ⁺state from the ground state were fitted together using single a Hamiltonian matrix that included ²Π_i and ²Σ⁺ matrix elements and their off-diagonal elements coupling vibrational levels of these states. The depurturbed band constants and interaction parameters were determined and were used to generate Dunham coefficients. The Y_l0 and Y_l1 coefficients were used to generate Rydberg-Klein-Rees (RKR) potential curves. Vibrational radial, and overlap integrals were computed from the RKR potential, and the off-diagonal matrix elements coupling the electronic wavefunctions of the B and C states were determined. The B²Σ⁺, v = 6 level shows J- and parity-dependent mixing up to ~50% by the C²Π_1/2, v = 0 level and this is also reflected in the radiative lifetimes of these states.

在24,500–27,400 cm ^-1区域以0.04 cm ^-1的分辨率研究了ScO分子的射流冷却激光诱导的荧光光谱。在从头预测Ç ²中IIIb族过渡金属氧化物分子Π状态，但迄今未检测到，在SCO分子中观察到的振动v  = 0-3。此外，先前报道的较高振动能级阿² Π和乙^2种Σ ⁺状态，分别在v  = 12-13和v = 5–8也被观察到。这些状态的振动水平在能量上处于接近状态，从而导致B和C状态之间产生干扰。报告了这些频段的去扰动分析。间所观察到的条带，所述的deperturbed带原点（BO）c ^ ² Π _1/2 - X ² Σ ⁺（0,0）的子带被发现是只6厘米^-1的BO上述乙² Σ ⁺ - X ² Σ ⁺（6,0）频带。涉及C ²的v  = 0–3水平的旋转跃迁波数Π_我状态和v  = 5-8水平的乙² Σ ⁺从基态状态被装配在一起使用单，其中包括一个哈密顿矩阵² Π_我和^2个Σ ⁺矩阵元素和它们的非对角元素耦合振动能级在这些州中。确定了去掺杂的带常数和相互作用参数，并将其用于生成邓纳姆系数。所述ÿ_升0和ÿ_升1系数用于生成Rydberg-Klein-Rees（RKR）电位曲线。根据RKR势计算径向振动和重叠积分，并确定耦合B和C状态电子波函数的非对角矩阵元素。的乙² Σ ⁺，v  = 6级所示Ĵ -和奇偶依赖性由混合达〜50％c ^ ² Π _1/2，v  = 0水平和这也反映在这些状态的辐射寿命。