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Radiative lifetimes of A2Π, B2Σ+, 22Π, 12Σ–, C2Δ, and a4Σ+ states of carbon monosulfide cation
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2020-11-14 , DOI: 10.1016/j.jqsrt.2020.107433
Shan Sun , Deheng Shi

The transition dipole moments of the dipole–allowed transitions between the X2Σ+, A2Π, B2Σ+, 22Π, 12Σ, and C2Δ states of the carbon monosulfide cation were calculated using the complete active space self–consistent field method, followed by the internally contracted multireference configuration interaction approach. The transition dipole moments of the spin–forbidden transitions from the a4Σ+ state to the X2Σ+ and A2Π states were computed. The radiative lifetimes were of the order of 1 – 10 µs, 100 ns, 1 µs, 10 – 100 µs, and 1 – 10 µs for the A2Π, B2Σ+, 22Π, 12Σ, and C2Δ states, respectively. The transition frequencies, Einstein A coefficients, and Franck–Condon factors of all these spontaneous vibronic emissions from these systems were calculated. The emissions from the A2Π – X2Σ+, B2Σ+ – X2Σ+, B2Σ+ – A2Π, 22Π – A2Π, and C2Δ – A2Π systems were strong, suggesting that the 22Π state could be measured in a spectroscopy experiment via 22Π – A2Π transition. Those from the 22Π – B2Σ+, 12Σ – 22Π, and C2Δ – 22Π systems were weak. The radiative lifetimes of the a4Σ+1/2 and a4Σ+3/2 states were approximately 10 ms. Among these spin–forbidden transitions, the emissions from the a4Σ+3/2 – A2Π3/2 system were relatively strong. The radiative–lifetime distribution of each vibrational level versus the rotational quantum number was evaluated for the A2Π, B2Σ+, 22Π, 12Σ, C2Δ, and a4Σ+ states.



中文翻译:

A的辐射寿命2 Π,B 2 Σ +,2 2 Π,1 2 Σ -,C 2 Δ和4个Σ +一硫化碳阳离子的状态

在X之间的偶极允许跃迁的跃迁偶极矩2 Σ +,A 2 Π,B 2 Σ +,2 2 Π,1 2 Σ - ,和C 2使用完整计算了一硫化碳阳离子的Δ状态活动空间自洽字段方法,然后是内部收缩的多引用配置交互方法。从一个自旋禁戒跃迁的跃迁偶极矩4 Σ +状态到X 2 Σ +和A 2states状态被计算。的辐射寿命是1的量级- 10微秒,100纳秒,1微秒,10 - 100微秒,和1 - 10微秒为A 2 Π,B 2 Σ +,2 2 Π,1 2 Σ - ,和c ^ 2 Δ指出,分别。计算了这些系统中所有这些自发振动的电子跃迁的跃迁频率,爱因斯坦A系数和弗兰克-康登因子。来自A的排放物2 X - Π 2 Σ +,B 2 Σ + - X 2 Σ +,B 2 Σ + -甲2 Π,22 Π -甲2 Π,和C 2 Δ -甲2 Π系统是强烈,表明2 2 Π状态可以在一个光谱实验经由2来测量2 Π -甲2 Π过渡。那些从2 2 Π - B 2 Σ +,1 2 Σ - - 2 2 Π,和C 2 Δ - 2个2 Π系统是微弱的。的一个的辐射寿命4 Σ + 1/24 Σ + 3/2状态约为10毫秒。在这些自旋禁阻跃迁,从一排放4 Σ + 3/2 -甲2 Π 3/2系统是比较强的。各振动能级与转动量子数的辐射-寿命分布为A,评价2 Π,B 2 Σ +,2 2 Π,1 2 Σ -,C 2 Δ和4点Σ +的状态。

更新日期:2020-12-15
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