Product study of the reactions of γ-caprolactone and γ-heptalactone initiated by OH radicals at 298 K and atmospheric pressure: Formation of acyl peroxynitrates (APN).

ANDREA BAPTISTA

CHEMOSPHERE

PERGAMON-ELSEVIER SCIENCE LTD

Lugar: Amsterdam; Año: 2023 vol. 323 p. 138156 - 138156

0045-6535

product study was performed for the reaction of γ-caprolactone (GCL) and γ-heptalactone (GHL) initiated byOH radicals at (298 ± 2) K and atmospheric pressure, in presence of NOx. The identification and quantification ofthe products were performed in a glass reactor coupled with in situ FT-IR spectroscopy. The following productswere identified and quantified with the corresponding formation yields (in %) for the OH + GCL reaction: peroxypropionyl nitrate (PPN) (52 ± 3), peroxy acetyl nitrate (PAN) (25 ± 1), and succinic anhydride (48 ± 2). For theGHL + OH reaction, the products detected with their corresponding formation yields (in %) were the following:peroxy n-butyryl nitrate (PnBN) (56 ± 2), peroxy propionyl nitrate (PPN) (30 ± 1) and succinic anhydride and(35 ± 1). Upon these results, an oxidation mechanism is postulated for the title reactions. The positions with thehighest H-abstraction probabilities for both lactones are analyzed. Specifically, the increased reactivit