Formation of astrochemically relevant molecular ions: Reaction of translationally cold CCl+ with benzene in a linear ion trap
Formation of astrochemically relevant molecular ions: Reaction of translationally cold CCl+ with benzene in a linear ion trap
复制标题
DOI：
10.1103/physreva.105.l020801
复制
发表时间：
2022-02-03
影响因子：
2.9
通讯作者：
Lewandowski, H. J.
中科院分区：
文献类型：
--
作者：
Krohn, O. A.;Catani, K. J.;Lewandowski, H. J.
采用线性保罗离子阱与飞行时间质谱联用研究了CCl+ +苯（C6H6）气相离子中性反应。低碰撞能量是通过用共俘获的激光冷却的Ca+对CCl+反应物离子进行共冷而获得的。观测到的产物包括与天体化学相关的碳阳离子C7H5+、C5H3和C3H3，以及C3H2Cl+。测量了这些产物的分支比，发现C7H5+是一种碳生长物质。互补电子结构计算为反应提供了热力学限制，并允许将反应产物分配给特定的结构异构体。除了C7H5+外，每个观察到的产物只有一个外能异构体，其中许多已确定的结构异构体是外能的。这封信的结果扩大了我们对CCl+和C6H6在星际化学中的反应性和可能作用的理解。此外，这封信提供了一个潜在的途径，更大的碳正离子可能是更复杂的多环芳烃的前体。
The gas-phase ion-neutral reaction of CCl+ + benzene (C6H6) is investigated using a linear Paul ion trap coupled to a time-of-flight mass spectrometer. Low collision energies are achieved by sympathetically cooling CCl+ reactant ions with cotrapped laser-cooled Ca+. The observed products include the astrochemically relevant carbocations C7H5+, C5H3, and C3H3, as well as C3H2Cl+. Branching ratios of these products are measured, and C7H5+, a carbon-growth species, is favored. Complementary electronic structure calculations provide thermodynamic limits for the reaction and allow for assignment of reaction products to specific structural isomers. Only one exoergic isomer is identified for each observed product with the exception of C7H5+ where many identified structural isomers are exoergic. The results from this Letter broaden our understanding of the reactivity and possible role of CCl+ and C6H6 in interstellar chemistry. Furthermore, this Letter provides insight into a potential pathway to larger carbocations that may be precursors to more complex polycyclic aromatic hydrocarbons.