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Analysis of Volatile and Oxidation Sensitive Compounds Using a Cold Inlet System and Electron Impact Mass Spectrometry
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Electron scattering by trimethylene oxide, c-(CH2)3O, molecules.

Czesław Szmytkowski1, Alicja Domaracka, Paweł Mozejko

  • 1Atomic Physics Group, Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, ul. G. Narutowicza 11/12, 80-233 Gdańsk, Poland. czsz@mif.pg.gda.pl

The Journal of Chemical Physics
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PubMed
Summary

Electron scattering cross sections were measured for trimethylene oxide. Results show energy-dependent trends and agree with theoretical calculations, aiding in understanding cyclic ether properties.

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Area of Science:

  • Atomic and Molecular Physics
  • Quantum Chemistry
  • Chemical Physics

Background:

  • Electron-scattering cross sections are fundamental properties for understanding molecular interactions.
  • Trimethylene oxide, a cyclic ether, presents an interesting case for studying electron-molecule collisions due to its unique structure.

Purpose of the Study:

  • To experimentally and theoretically determine electron-scattering cross sections for trimethylene oxide.
  • To compare the electron scattering behavior of trimethylene oxide with its isomers and related cyclic ethers.
  • To develop a predictive model for electron scattering cross sections in cyclic ethers.

Main Methods:

  • Absolute total cross section (TCS) measured using a linear electron-transmission method from 1 to 400 eV.
  • Integral elastic cross section (ECS) and ionization cross section (ICS) calculated using the additivity rule approximation and binary-encounter-Bethe approach up to 3 keV.
  • Comparison with experimental data for acetone and other cyclic ethers (n=2-4).

Main Results:

  • TCS generally decreases with energy, with discernible resonant-like structures between 3-10 eV.
  • The sum of calculated ECS and ICS shows good agreement with the measured TCS.
  • A consistent trend was observed for cyclic ethers, where TCS can be represented as a sum of contributions from methylene groups and oxygen atoms.
  • Predicted TCS for cyclopentamethylene oxide based on this additive model.

Conclusions:

  • The study provides comprehensive electron-scattering data for trimethylene oxide.
  • The additive model effectively predicts cross sections for cyclic ethers, facilitating studies of larger molecules.
  • Findings contribute to a deeper understanding of electron-molecule interactions in cyclic organic compounds.