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Radiative lifetimes of A 2Π, B 2Σ+, a 4Σ+, and b 4Δ states of CP radical
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2021-04-06 , DOI: 10.1016/j.jqsrt.2021.107664
Jinping Zhang , Zunlue Zhu

The potential energy curves of X 2Σ+, A 2Π, B 2Σ+, a 4Σ+, and b 4Δ states and their Ω states of CP were calculated using the icMRCI approach. The transition dipole moments between these states were computed. To improve the accuracy of the potential energy curves, core–valence correlation and scalar relativistic corrections were considered. The radiative lifetimes were approximately 10 μs for the A 2Π3/2 and A 2Π1/2 states and 100 ns for the B2Σ+1/2 state; those were approximately 10, 10 – 100, 10, 0.1 – 1, and 10 ms for the a 4Σ+1/2, a 4Σ+3/2, b 4Δ1/2, b 4Δ3/2, and b 4Δ5/2 states, respectively. The spontaneous emissions from the B 2Σ+1/2 – X 2Σ+1/2 system were strong, followed by the A 2Π3/2 – X 2Σ+1/2, A 2Π1/2 – X 2Σ+1/2, B 2Σ+1/2 – A 2Π3/2, and B 2Σ+1/2 – A 2Π1/2 transitions. The strong emissions from the A 2Π3/2 – X 2Σ+1/2 and A 2Π1/2 – X 2Σ+1/2 systems were in the infrared region; those from the B 2Σ+1/2 – X 2Σ+1/2 system were in the visible and ultraviolet regions; and those from the B 2Σ+1/2 – A 2Π3/2, and B 2Σ+1/2 – A 2Π1/2 systems were of visible light. A simple comparison shows that the effect of the spin–orbit coupling on the radiative lifetimes of the A 2Π and B 2Σ+ states was significant. The radiative–lifetime distribution of each level υ versus the rotational quantum number J was evaluated for υ ≤ 15 and J ≤ 70.5.



中文翻译:

A的辐射寿命2 Π,B 2 Σ +,一个4 Σ +,和b 4个CP自由基的Δ状态

X的势能曲线2 Σ +,A 2 Π,B 2 Σ +,一个4 Σ +,和b 4个使用icMRCI方法计算Δ状态和CP的他们的状态Ω。计算了这些状态之间的跃迁偶极矩。为了提高势能曲线的准确性,考虑了核价关系和标量相对论校正。的辐射寿命分别为A大约10微秒2 Π 3/2和A 2个Π 1/2状态和100ns的为B 2 Σ + 1/2状态; 那些分别约为10,10 - 100,10,0.1 - 1,和10毫秒的一个4 Σ + 1/2,一个4 Σ + 3/2,B 4 Δ 1/2,B 4 Δ 3/2,和b 4种Δ 5/2状态,分别。从B中的自发辐射2 Σ + 1/2 - X 2 Σ + 1/2系统强劲,接着由A 2 Π 3/2 - X 2 Σ + 1/2,A 2 Π 1/2- X 2 Σ + 1/2,B 2 Σ + 1/2 -甲2 Π 3/2,和B 2 Σ + 1/2 -甲2 Π 1/2跃迁。来自A的强排放2 Π 3/2 - X 2 Σ + 1/2和A 2 Π 1/2 - X 2 Σ + 1/2系统是在红外区; 那些从B 2 Σ + 1/2 - X 2 Σ +1/2系统分别在可见光和紫外线区域;而那些来自B 2 Σ + 1/2 -甲2 Π 3/2,和B 2 Σ + 1/2 -甲2个Π 1/2系统是可见光。一个简单的比较表明,在A的辐射寿命的自旋轨道耦合的效果2 Π和B 2 Σ +状态是显著。每个级别υ与转动量子数j的辐射-寿命分布进行评价为υ≤15和Ĵ  ≤70.5。

更新日期:2021-04-19
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