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. 2025 Mar 5;5(3):283-292.
doi: 10.1021/acsphyschemau.5c00006. eCollection 2025 May 28.

Elastic Electron Collisions with Cyanoacetylene

Victor A S da Mata  1 , Giseli M Moreira  2   3 , Adevânia J da Silva  1 , Romarly F da Costa  4 , Luiz A V Mendes  5 , Manoel G P Homem  1
Affiliations

Elastic Electron Collisions with Cyanoacetylene

Victor A S da Mata et al. ACS Phys Chem Au. .

Abstract

A comprehensive theoretical investigation involving electron collisions with cyanoacetylene is reported. Differential cross sections (DCSs), integral cross sections (ICSs), and momentum-transfer cross sections (MTCSs) for the elastic electron scattering were calculated using the Schwinger multichannel (SMC) method at the static-exchange plus polarization (SEP) level of approximation for energies ranging from 0.5 to 30 eV. The Schwinger variational method combined with Padé's approximants (SVPA), considering static-exchange-polarization plus absorption (SEPA), was also applied for impact energies from 0.1 to 1000 eV. These results were complemented by calculations performed according to the screen-corrected independent atom model (SCIAM). Furthermore, original measurements of absolute elastic (DCSs) at 20 eV were conducted in a crossed-beam apparatus. The theoretical results display an outstanding agreement with each other and an overall agreement with the calculated cross sections available in the literature. The agreement between the calculated and measured results is quite encouraging, further validating the thoroughness of the current research.

Keywords: Schwinger multichannel method; Schwinger variational method; cross sections; cyanoacetylene; elastic electron collisions; relative flow technique; shape resonances.

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Figures

1
1
DCSs for elastic electron collisions with cyanoacetylene at 2, 4, 6, and 8 eV impact energies. See the text for further discussion.
2
2
DCSs for elastic electron collisions with cyanoacetylene at 10, 12, 15, and 20 eV impact energies. The line styles are the same as in Figure and the orange circles represent our experimental data. See the text for further discussion.
3
3
DCSs for elastic electron scattering by cyanoacetylene at 30, 50, 80, and 100 eV impact energies. The line styles are the same as in Figures and . See the text for further discussion.
4
4
DCSs for elastic electron scattering by cyanoacetylene at 150, 200, 300, and 500 eV impact energies. The line styles are the same as in Figures and . See the text for further discussion.
5
5
ICSs (top panel) and MTCSs (bottom panel) for elastic electron collisions with cyanoacetylene over 0.1–30 eV impact energy range. See the text for further discussion.
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Symmetry decomposition, in the C∞v point group, of the ICSs obtained with ePSE3. See the text for further discussion.
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7
Symmetry decomposition, in the C2v point group, of the ICS in the SEP approximation. We also included the RMat data reported by Kaur et al. See the text for further discussion.
See this image and copyright information in PMC

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