Electron ionization of open/closed chain isocarbonic molecules relevant in plasma processing: theoretical cross...

Area of Science:

• Physical Chemistry
• Atomic and Molecular Physics
• Chemical Physics

Background:

• Electron impact ionization is a fundamental process in atomic and molecular physics.
• Experimental and theoretical data for electron impact ionization cross sections of many polyatomic molecules, particularly C4 isomers, are scarce.
• Understanding ionization processes is vital for various applications, including plasma physics and atmospheric chemistry.

Purpose of the Study:

• To calculate theoretical electron impact ionization cross sections for a range of C4 open-chain (C4H6, C4H8, C4F6) and closed-chain (c-C4H8, c-C4F8) molecules and their isomers.
• To provide new ionization data where existing results are limited or absent.
• To compare ionization characteristics between C4 hydrocarbon and fluorocarbon molecules.

Main Methods:

• The Complex Scattering Potential-ionization contribution (CSP-ic) method was employed for theoretical calculations.
• Electron impact ionization cross sections were computed over an energy range from the ionization threshold up to 2000 eV.
• The theoretical formalism has been previously validated for diverse polyatomic molecules.

Main Results:

• Theoretical electron impact ionization cross sections were successfully computed for the specified C4 hydrocarbon and fluorocarbon molecules and their isomers.
• New ionization cross section data were generated for these target molecules.
• Comparisons between the ionization cross sections of hydrocarbon and fluorocarbon C4 molecules were performed.

Conclusions:

• The study successfully generated novel theoretical electron impact ionization cross sections for C4 hydrocarbons and fluorocarbons.
• The presented data fill a critical gap in the available literature for these molecules.
• The work facilitates a better understanding of the differences and similarities in ionization behavior between related hydrocarbon and fluorocarbon compounds.