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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Collision-energy-resolved penning ionization electron spectroscopy of HCOOH, CH3COOH, and HCOOCH3 by collision with He*(2(3)S) metastable atoms
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Collision-energy-resolved penning ionization electron spectroscopy of HCOOH, CH3COOH, and HCOOCH3 by collision with He*(2(3)S) metastable atoms

机译：通过碰撞He *（2（3）S）亚稳原子碰撞HCOOH，CH3COOH和HCOOCH3的碰撞能量分辨潘宁电离电子光谱

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摘要

Penning ionization of formic acid (HCOOH), acetic acid (CH3COOH), and methyl formate (HCOOCH3) upon collision with metastable He*(2(3)S) atoms was studied by collision-energy/electron-energy-resolved two-dimensional Penning ionization electron spectroscopy (2D-PIES). Anisotropy of interaction between the target molecule and He*(2(3)S) was investigated based on the collision energy dependence of partial ionization cross sections (CEDPICS) obtained from 2D-PIES as well as ab initio molecular orbital calculations for the access of a metastable atom to the target molecule. For the interaction potential calculations, a Li atom was used in place of He*(2(3)S) metastable atom because of its well-known similarity in interaction with targets. The results indicate that in the studied collision energy range the attractive potential localizes around the oxygen atoms and that the potential well at the carbonyl oxygen atom is at least twice as much as that at the hydroxyl oxygen. Moreover we can notice that attractive potential is highly anisotropic. Repulsive interactions can be found around carbon atoms and the methyl group.
机译：通过碰撞能/电子能解析二维研究了甲酸（HCOOH），乙酸（CH3COOH）和甲酸甲酯（HCOOCH3）与亚稳He *（2（3）S）原子碰撞时的潘宁电离潘宁电离电子光谱（2D-PIES）。基于从2D-PIES获得的部分电离截面（CEDPICS）的碰撞能量依赖性以及从头开始的分子轨道计算来研究目标分子与He *（2（3）S）之间相互作用的各向异性目标分子的亚稳定原子。对于相互作用势的计算，使用了Li原子代替He *（2（3）S）亚稳原子，因为它与靶标的相互作用众所周知。结果表明，在所研究的碰撞能量范围内，吸引电势位于氧原子周围，并且羰基氧原子处的势阱至少是羟基氧处的势阱的两倍。此外，我们可以注意到，有吸引力的潜力是高度各向异性的。可以在碳原子和甲基周围发现排斥性相互作用。

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