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Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study

Abstract

Elastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured in a wide energy range (0.2−300 eV) using a 127° electron spectrometer working in the linear transmission configuration. The integral elastic and the absolute total cross sections display a π* shape resonance at around 1.70−1.84 eV, which can be related to the resonance visible for formic acid, and a broad structure located at 7−8 eV, which can be associated to a superposition of σ* shape resonances. Our results were compared with theoretical and experimental results available in the literature and with the results of electron collisions with formic acid. The additivity rule was used to estimate the total cross section of methyl formate and the results agree well with the experimental data.

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Details

Category:
Articles
Type:
artykuły w czasopismach
Published in:
JOURNAL OF PHYSICAL CHEMISTRY A no. 127, pages 7594 - 7604,
ISSN: 1089-5639
Language:
English
Publication year:
2023
Bibliographic description:
Tańska N., Bandeira E., Souza Barbosa A., Wójcik K., Dylnicka S., Ptasińska-Denga E., Szmytkowski C., Bettega M. H. F., Możejko P.: Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study// JOURNAL OF PHYSICAL CHEMISTRY A -Vol. 127,iss. 36 (2023), s.7594-7604
DOI:
Digital Object Identifier (open in new tab) 10.1021/acs.jpca.3c04636
Sources of funding:
  • Statutory activity/subsidy
Verified by:
Gdańsk University of Technology

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