Experimental and Theoretical Study on Electron Interactions with Acetic Acid Molecules.

IF 2.7 2区 化学 Q3 CHEMISTRY, PHYSICAL
Natalia Tańska, Kuba Wójcik, Thiago Corrêa Freitas, Márcio H F Bettega, Czesław Szmytkowski, Paweł Możejko
{"title":"Experimental and Theoretical Study on Electron Interactions with Acetic Acid Molecules.","authors":"Natalia Tańska, Kuba Wójcik, Thiago Corrêa Freitas, Márcio H F Bettega, Czesław Szmytkowski, Paweł Możejko","doi":"10.1021/acs.jpca.4c07838","DOIUrl":null,"url":null,"abstract":"<p><p>The absolute total cross section for electron collisions with acetic acid has been measured using an electrostatic electron spectrometer and linear transmission method for collision energies ranging from 0.4 to 300 eV. Elastic electron scattering from acetic acid within a low-energy range has also been studied theoretically using the Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximation for energies up to 15 eV. The absolute total and the integral elastic cross sections display a π* shape resonance at around 1.7 eV and a broad structure spanned between 4 and 10 eV, which can be associated with a superposition of overlapping σ* resonances. We compared the obtained results with data available in the literature regarding the interaction of electrons with acetic acid. The results of electron collisions with acetic acid, methyl formate, and formic acid are also compared and discussed.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":""},"PeriodicalIF":2.7000,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry A","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpca.4c07838","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

The absolute total cross section for electron collisions with acetic acid has been measured using an electrostatic electron spectrometer and linear transmission method for collision energies ranging from 0.4 to 300 eV. Elastic electron scattering from acetic acid within a low-energy range has also been studied theoretically using the Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximation for energies up to 15 eV. The absolute total and the integral elastic cross sections display a π* shape resonance at around 1.7 eV and a broad structure spanned between 4 and 10 eV, which can be associated with a superposition of overlapping σ* resonances. We compared the obtained results with data available in the literature regarding the interaction of electrons with acetic acid. The results of electron collisions with acetic acid, methyl formate, and formic acid are also compared and discussed.

求助全文
约1分钟内获得全文 求助全文
来源期刊
The Journal of Physical Chemistry A
The Journal of Physical Chemistry A 化学-物理:原子、分子和化学物理
CiteScore
5.20
自引率
10.30%
发文量
922
审稿时长
1.3 months
期刊介绍: The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信