2024/02/19 by Dmitry V. Makhov, Makhov, Dmitry V., Gregory Armstrong +15
Chemistry · Engineering · Physics and Astronomy · #Atomic and Molecular Physics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Mass Spectrometry Techniques and Applications #Plasma Diagnostics and Applications
paper · pdf · doi:10.48550/arxiv.2402.12473
openalex publication_date 2024/02/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The process of dissociation for two hydrofluorocarbon molecules in low triplet states excited by electron impact in plasma is investigated by ab initio Molecular Dynamics (AIMD). The interest in dissociation of hydrofluorocarbons in plasma is motivated by their role in plasma etching in microelectronic technologies. Dissociation of triplet states is very fast, and the reaction products can be predicted. In this work, it was found that higher triplet states relax into the lowest triplet state within a few femtoseconds due to nonadiabatic dynamics, so that the simplest ab initio MD on the lowest triplet state seems to give a reasonable estimate of the reaction channels branching ratios. We provide evidence for the existence of simple rules for the dissociation of hydrofluorocarbon molecules in triplet states. For molecules with a double bond, the bonds adjacent to it dissociate faster than the other bonds.