Hydrogen radical and hydroxyl radical hydrogen abstraction reaction from formyl fluoride studied with hybrid density functional theory methods

Abstract

With the goal of reducing flame velocity in combustion reactions, this study focused on the conversion of hydrogen and hydroxyl radicals into relatively unreactive hydrogen and water molecules through the inter-conversion of formyl fluoride to fluoroformyl radicals. Hybrid DFT computational methods were employed to confirm these results. Based on this, the fluoroformyl radical-assisted transformation of the hydrogen and hydroxyl radicals into hydrogen and water molecules was discussed.