Electron affinity of trans-2-C4F8 from electron attachment-detachment kinetics

Area of Science:

• Physical Chemistry
• Chemical Physics

Background:

• Understanding electron interactions with fluorocarbons is crucial for various applications.
• 2-Perfluorobutenes (2-C4F8) are relevant molecules in plasma chemistry and materials science.

Purpose of the Study:

• To investigate the electron attachment and detachment kinetics of 2-C4F8 isomers.
• To determine the electron affinity (EA) of the trans-2-C4F8 isomer.
• To computationally study the structural properties of neutral and anion isomers.

Main Methods:

• Utilized a flowing-afterglow Langmuir-probe apparatus for kinetic studies.
• Analyzed gas composition to identify trans/cis isomer ratios.
• Employed G3(MP2), MP2, and density functional theory (DFT) for computational analysis.

Main Results:

• Parent anions were exclusively formed during electron attachment across the studied temperature range.
• Thermal electron detachment became significant at higher temperatures.
• Determined EA(trans-2-C4F8) = 0.79 ± 0.06 eV experimentally and 0.74 eV computationally.
• Calculations indicated EA(cis-2-C4F8) is slightly higher than that of the trans isomer.

Conclusions:

• The study provides key kinetic data and electron affinity values for 2-C4F8 isomers.
• Experimental and computational results show good agreement, validating the findings.
• The research contributes to a deeper understanding of electron-molecule interactions in fluorocarbons.