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Elastic electron scattering by C2F4.

C Winstead¹, V McKoy

¹A. A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125, USA.

The Journal of Chemical Physics

|July 13, 2005

Summary

This study reexamines electron-C(2)F(4) elastic cross sections. Despite previous discrepancies, our revised calculations confirm a significantly larger cross section at higher energies.

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Area of Science:

Atomic and Molecular Physics
Quantum Chemistry
Scattering Theory

Background:

Discrepancies exist between experimental and theoretical elastic electron cross sections for tetrafluoroethylene (C(2)F(4)).
Previous calculations by Winstead and McKoy (2002) differed from recent experimental and theoretical results.
An unexpected difference in cross section magnitude above approximately 10 eV prompted further investigation.

Purpose of the Study:

To reexamine and clarify the elastic electron cross section for C(2)F(4).
To identify and minimize potential sources of error in theoretical calculations.
To resolve discrepancies with existing experimental and computational data.

Main Methods:

Theoretical calculations of the elastic electron scattering cross section.
Systematic reevaluation of computational approximations and potential error sources.
Comparison of refined theoretical predictions with experimental data.

Main Results:

The reexamination confirmed a substantially larger elastic electron cross section for C(2)F(4) at higher energies.
Potential errors in earlier calculations were identified and minimized.
The refined calculations align with the surprising magnitude observed in recent studies.

Conclusions:

The revised theoretical approach provides a more accurate prediction of the electron-C(2)F(4) elastic cross section.
The findings contribute to a better understanding of electron-molecule interactions in fluorocarbons.
Further experimental validation at higher energies may be warranted.

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