非晶态固体水中$^3$ P氧还原时基态和激发态单重态O $_2$的形成和稳定性
Formation and Stabilization of Ground and Excited State Singlet O$_2$ upon Recombination of $^3$P Oxygen on Amorphous Solid Water
摘要：
$^3$ P氧原子在冷的非晶态固体水形成三重态和单重态分子氧（O $_2$）的重组动力学如下条件下代表冷云。结果表明，基态（$X ^3 Σ_{g}^{-}$）O $_2$和两个最低单重态（$a ^1Δ_g$和$b ^1Σ_g^+$）的分子氧都有可能形成，并且物种可以稳定。物种的相对比例约为1：1：1。这些结果也同意定性的动力学模型的基础上简化波包模拟。由于三重态和单重态O $_2$的化学反应性不同，很可能大量的$a ^1Δ_g$和$b ^1Σ_g^+$氧影响冷云的化学演化。
英文摘要：
The recombination dynamics of $^3$P oxygen atoms on cold amorphous solid water to form triplet and singlet molecular oxygen (O$_2$) is followed under conditions representative for cold clouds. It is found that both, formation of ground state ($X ^3 Σ_{g}^{-}$) O$_2$ and molecular oxygen in the two lowest singlet states ($a ^1Δ_g$ and $b ^1Σ_g^+$) is possible and that the species can stabilize. The relative proportions of the species is approximately 1:1:1. These results also agree qualitatively with a kinetic model based on simplified wavepacket simulations. As the chemical reactivity of triplet and singlet O$_2$ is different it is likely that substantial amounts of $a ^1Δ_g$ and $b ^1Σ_g^+$ oxygen influences the chemical evolution of cold clouds.
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