碳原子和离子的辐射缔合
Radiative association of atomic and ionic carbon
摘要：
本文计算了$(^3P)$原子与C-$^+(^2P^o)$离子碰撞中辐射缔合过程生成二碳正离子（C-$_2^+$）的反应截面和速率系数。通过对C $_2^+$的一系列双重态和四重态的分子结构计算，得到了耦合相关态的势能面和跃迁偶极矩，大大增加了C $_2^+$的分子数据.使用量子力学方法，我们探索了一些允许的过渡，并确定那些有助于辐射关联过程。计算结果将该过程的可用数据扩展到100 K的温度，发现速率系数约为$2\times 10^{-18}$ cm $^3$ /s。我们提供适合纳入天体化学反应数据库的分析拟合。
英文摘要：
We present calculated cross sections and rate coefficients for the formation of the dicarbon cation (C$_2^+$) by the radiative association process in collisions of a C$(^3P)$ atom and a C$^+(^2P^o)$ ion. Molecular structure calculations for a number of low-lying doublet and quartet states of C$_2^+$ are used to obtain the potential energy surfaces and transition dipole moments coupling the states of interest, substantially increasing the available molecular data for C$_2^+$. Using a quantum-mechanical method, we explore a number of allowed transitions and determine those contributing to the radiative association process. The calculations extend the available data for this process down to the temperature of 100 K, where the rate coefficient is found to be about $2\times 10^{-18}$ cm$^3$/s. We provide analytical fits suitable for incorporation into astrochemical reaction databases.
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