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Rotational Energy Transfer in Highly Excited States of Lithium Dimer: Experiment and Modeling.
The Journal of Physical Chemistry A ( IF 2.9 ) Pub Date : 2020-08-24 , DOI: 10.1021/acs.jpca.0c04960
Jacob Fanthorpe 1 , Yunxiao Gao 1 , Brian Stewart 1
Affiliation  

We report level-resolved rate coefficients for collision-induced rotational energy transfer in the 7Li2*–Ne system, with 7Li2* in the highly electronically excited E(3)1Σg+(vi = 4, ji = 31) and F(4)1Σg+(vi = 10, ji = 31) states. The distributions of rate coefficients are strikingly different from those previously measured for the A(1)1Σu+(vi = 2–24, ji = 30) state of the same molecule, falling off much more rapidly with increasing rotational quantum number change |Δj|. The reason for the difference was explored by means of an inverse Monte Carlo approach employing classical trajectories and a model potential, which was adjusted to give agreement with experiment. The modeling strongly suggests that the E and F state interaction potentials are much more nearly isotropic than that of the A state. The resulting dramatic reduction in rate coefficient, especially for large |Δj|, may be relevant in the relaxation of gases at high temperatures.

中文翻译:

锂二聚体高激发态中的旋转能量转移:实验和建模。

我们报告解决水平速率系数在碰撞诱导的旋转能量传递72 * -Ne系统,具有72 *在高电子激发E(3)1 Σ+v= 4,Ĵ= 31)和F(4)1 Σ+v= 10,Ĵ= 31)的状态。率系数的分布是从先前对A(1)测得的那些显着不同的1 Σ Ü +v= 2-24, Ĵ= 30)在同一分子的状态下,随转动量子数变化脱落迅速得多|Δ Ĵ |。通过采用经典轨迹和模型势的逆蒙特卡洛方法探索了产生这种差异的原因,并对其进行了调整以与实验保持一致。该模型强烈表明,E和F状态的相互作用势比A状态的势更接近各向同性。将得到的显着减少在速率系数,特别是大型|Δ Ĵ |,可以是在高温下的气体的松弛有关。
更新日期:2020-09-18
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