论文标题
C $ _2 $ H $^ - $和C $ _2 $ n $^ - $ n $ n $^ - $ nions与He在星际和冷离子陷阱条件下的旋转状态改变碰撞：计算比较
Rotational state-changing collisions of C$_2$H$^-$ and C$_2$N$^-$ anions with He under interstellar and cold ion trap conditions: a computational comparison
论文作者
论文摘要
我们为改变状态的旋转动力学提出了广泛的量子计算，涉及两个简单的分子阴离子，预计在星际环境中化学网络的进化分析中，C $ _2 $ _2 $ _2 $ _2 $ _2 $ _ $^ - $（$ x^1σ^+$）和C $ _2 $ _2 $ _2 $ n $^ - $^ - $^ - $ x^3Stecy^^3σ^^3Sc^^qu） C $ _2 $ H $^ - $。在冷离子陷阱中进行选择性照相局（PD）实验，同一系统也具有直接的兴趣，在冷离子陷阱中，He原子在低陷阱温度下充当主要的缓冲气体。这项研究采用这些阴离子的相互作用势能表面（PESS）的准确，被视为刚性转子（RR）和He原子的相互作用势能表面（PESS）的计算，以获取状态变化的量子交叉段和速度的广泛范围。在大约100 k的温度下，结果分析了两种系统的速度，以分析和分析率，以显示两个系统的差异。
We present an extensive range of quantum calculations for the state-changing rotational dynamics involving two simple molecular anions which are expected to play some role in evolutionary analysis of chemical networks in the Interstellar environments, C$_2$H$^-$($X^1Σ^+$) and C$_2$N$^-$ ($X^3 Σ^-$) but for which inelastic rates are only known for C$_2$H$^-$. The same systems are also of direct interest in modelling selective photo-detachment (PD) experiments in cold ion traps where the He atoms function as the chief buffer gas at the low trap temperatures. This study employs accurate, \textit{ab initio} calculations of the interaction potential energy surfaces (PESs) for these anions, treated as Rigid Rotors (RR) and the He atom to obtain a wide range of state-changing quantum cross sections and rates at temperatures up to about 100 K. The results are analysed and compared for the two systems, to show differences and similarities between their rates of state-changing dynamics.
