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The observation of the D2Σ+ state of scandium monoxide molecule: Deperturbation analysis of the interacting C2Πi, v = 4 and D2Σ+, v = 0 states
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2020-10-19 , DOI: 10.1016/j.jqsrt.2020.107399
Sheo Mukund , Soumen Bhattacharyya , S.G. Nakhate

The laser-induced fluorescence spectra of the jet-cooled ScO molecules have been investigated in the 27,400−28,000 cm−1 region at 0.04 cm−1 resolution. The D2Σ+ state of ScO, predicted by the earlier ab initio studies, was observed in v = 0 vibration from the ground X2Σ+ state. The C2Πi state, earlier reported by us in vibrations v = 0−3, was also observed in v = 4 along with the A2Πr state in v = 14 vibration. The energetically overlapping v = 0 of the D2Σ+ and v = 4 of the C2Πi states are perturbed by homogeneous spin-orbit, spin-electronic and J-dependent L-uncouple interactions. The rotational transition wavenumbers of the D2Σ+X2Σ+(0,0) and C2ΠiX2Σ+(4,0) bands were fitted together using single Hamiltonian matrix that included 2Π and 2Σ+ matrix elements and their off-diagonal elements. The deperturbed D2Σ+, v = 0 state was found to be only 11.5 cm−1 below that of the C2Π3/2, v = 4 sub-state and f- and e-levels respectively cross after J = 12.5 and 28.5. The dispersed fluorescence and wavelength separated excitation spectra were crucial in understanding spectra and the deperturbation analysis of these interacting vibronic states. The D2Σ+, v = 0 state showed J- and parity-dependent mixing up to ∼45% by the C2Πi, v = 4 state and is reflected in the disperse fluorescence spectra. The radiative lifetimes of the A2Πr, C2Πi and D2Σ+ states respectively in 14, 4 and 0 vibrations also indicate that the CD as well as AC states interact. The observed sign and relative magnitude of the spin-rotation constant γ of the ground X2Σ+, and excited D2Σ+states are elucidated qualitatively in light of second-order contribution to γ from the A 2Πr and C 2Πi states.



中文翻译:

所述的观察d 2 Σ +的钪一氧化碳分子状态:该相互作用的Deperturbation分析Ç 2 Π,V  = 4,d 2 Σ +v  = 0的状态

已经在27,400-28,000 cm -1区域以0.04 cm -1的分辨率研究了喷射冷却的ScO分子的激光诱导荧光光谱。该d 2 Σ +状态SCO的,由先前的预测从头研究中,观察到v  = 0的振动从地面X 2 Σ +状态。的c ^ 2 Π状态,早些时候我们在振动报道v  = 0-3,也观察到在v  = 4与沿2 Π ř在状态v = 14次振动。能量上重叠v 所述的= 0 d 2 Σ +v 的= 4 c ^ 2 Π状态是由同质的自旋轨道,自旋电子和扰动Ĵ依赖性大号-uncouple相互作用。所述的旋转跃迁的波数d 2 Σ + - X 2 Σ +(0,0)和c ^ 2 Π- X 2 Σ +(4,0)的条带接合在一起使用单哈密顿矩阵,其中包括2 Π和2个Σ +矩阵元素和它们的非对角元素。所述deperturbed d 2 Σ +v  = 0的状态被认为是仅11.5厘米-1以下,所述的C ^ 2 Π 3/2v  = 4的子状态和F-Ë -levels后分别横Ĵ  = 12.5和28.5。分散的荧光和波长分离的激发光谱对于理解光谱和对这些相互作用的振动状态的去扰动分析至关重要。该d 2 Σ +v  = 0状态表明Ĵ -和奇偶依赖性由混合达〜45%c ^ 2 Π,V  = 4状态和反映在分散荧光光谱。所述的辐射寿命2 Π - [R,C 2 Πd 2 Σ +  14,图4和0分别振动状态也表明,Ç - d以及- Ç状态相互作用。所观察到的符号和接地的自旋旋转常数γ的相对大小X 2 Σ +和兴奋d 2个Σ +状态在光从到γ二阶贡献定性阐明 2 Π - [Rc ^ 2 Π指出。

更新日期:2020-10-30
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