N 分子中新自旋禁戒跃迁的预测——电偶极 A'Σ → AΣ 和磁偶极 a'Σ ← AΣ 跃迁。
Prediction of new spin-forbidden transitions in the N molecule-the electric dipole A'Σ → AΣ and magnetic dipole a'Σ ← AΣ transitions.
机构信息
Department of Chemistry and Nanomaterial Sciences, The Bohdan Khmelnytsky National University, Cherkasy, Ukraine.
Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG, Brazil.
出版信息
J Chem Phys. 2023 Feb 28;158(8):084304. doi: 10.1063/5.0136465.
On the ground of multi-reference configuration interaction calculations with an account of spin-orbit coupling, we have predicted the probability of two unknown spin-forbidden transitions in the spectrum of the N molecule: the electric dipole A'Σ → AΣ emission system and the magnetic dipole a'Σ ← AΣ transition. The radiative lifetime of the lowest A'Σ sublevel is less than a microsecond; the magnetic transition induced by the spin current in the triplet state is predicted with relatively low oscillator strength (f = 10), which still could be detectable.
基于考虑自旋轨道耦合的多参考组态相互作用计算，我们预测了 N 分子光谱中两个未知自旋禁戒跃迁的概率：电偶极 A'Σ → AΣ 发射系统和磁偶极 a'Σ ← AΣ 跃迁。最低 A'Σ 亚能级的辐射寿命小于微秒；在三重态中，自旋电流诱导的磁跃迁具有相对较低的振子强度（f = 10），但仍可检测到。
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