当前位置: X-MOL 学术Laser Part. Beams › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Formation of H3O+ in the Ionization and Fragmentation of Ethanol Induced by Electron Beam Irradiation
Laser and Particle Beams ( IF 0.9 ) Pub Date : 2021-01-07 , DOI: 10.1155/2021/6616439
Chao Ma 1 , Jiaqi Zhou 1, 2 , Enliang Wang 2, 3 , Tao Yang 1 , Zhongfeng Xu 1 , Shaokui Jia 1 , Alexander Dorn 2 , Xueguang Ren 1, 2
Affiliation  

The single ionization and dissociation of ethanol molecules induced by low-energy electrons ( E 0 = 90   eV ) are investigated using multiparticle coincident momentum spectroscopy. By detecting two outgoing electrons ( e 1 and e 2 ) and one fragment ion in coincidence, we obtain the energy deposition ( E 0 − E 1 − E 2 ) during electron ionization of the molecule, i.e., the binding energy spectra, for production of the different ionic fragments C2H5OH+, C2H4OH+, COH+, and H3O+. These data allow us to study the ionization channels for different ionic products. In particular, we focus on H3O+ as a product of double hydrogen migration. It is found that this channel mainly originates from the ionization of outer-valance orbitals (3a ″ ,10a ′ , 2a ″ , 9a ′ , 8a ′ , 1a ″ , and 7a ′ ). Additionally, there are minor contributions from the inner-valence orbitals such as 6a ′ , 5a ′ , and 4a ′ . Quantum chemistry calculations show two fragmentation pathways: concerted and sequential processes for formation of H3O+.

中文翻译:

电子束辐照诱导乙醇电离和碎裂中 H3O+ 的形成

结合能谱,用于产生不同的离子片段 C2H5OH+、C2H4OH+、COH+ 和 H3O+。这些数据使我们能够研究不同离子产品的电离通道。特别是,我们关注 H3O+ 作为双氢迁移的产物。发现该通道主要来源于外价轨道(3a ″ ,10a ′ , 1a ″ 和 7a ′ )。此外,内价轨道(例如 6a ' ,5a'和4a'。量子化学计算显示了两种碎裂途径:H3O+ 形成的协同和顺序过程。和4a'。量子化学计算显示了两种碎裂途径:H3O+ 形成的协同和顺序过程。和4a'。量子化学计算显示了两种碎裂途径:H3O+ 形成的协同和顺序过程。
更新日期:2021-01-07
down
wechat
bug