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.
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.