Mass spectra of cyclic ethers formed in the low-temperature oxidation of a series of n-alkanes

Olivier Herbinet (1) , Sarah Bax (1) , Pierre Alexandre Glaude (1) , Vincent Carré (2) , Frédérique Battin-Leclerc (1)

1 LRGP - Laboratoire Réactions et Génie des Procédés
2 LSMCL - Laboratoire de Spectrométrie de Masse et de Chimie Laser

Cyclic ethers are important intermediate species formed during the low-temperature oxidation of hydrocarbons. Along with ketones and aldehydes, they could consequently represent a significant part of the heavy oxygenated pollutants observed in the exhaust gas of engines. Apart a few of them such as ethylene oxide and tetrahydrofuran, cyclic ethers have not been much studied and very few of them are available for calibration and identification. Electron impact mass spectra are available for very few of them, making their detection in the exhaust emissions of combustion processes very difficult. The main goal of this study was to complete the existing set of mass spectra for this class of molecules. Thus cyclic ethers have been analyzed in the exhaust gases of a jet-stirred reactor in which the low-temperature oxidation of a series of n-alkanes was taking place. Analyzes were performed by gas chromatography coupled to mass spectrometry and to MS/MS. The second goal of this study was to derive some rules for the fragmentation of cyclic ethers in electron impact mass spectrometry and allow the identification of these species when no mass spectrum is available.

Mots clés: Cyclic ether; Engine exhaust gases; Combusion; n-Alkanes; Mass spectrum

Domaines: Chimie théorique et/ou physique

Olivier Herbinet, Sarah Bax, Pierre Alexandre Glaude, Vincent Carré, Frédérique Battin-Leclerc. Mass spectra of cyclic ethers formed in the low-temperature oxidation of a series of n-alkanes. Fuel, 2011, 90 (2), pp.528-535. ⟨10.1016/j.fuel.2010.09.047⟩. ⟨hal-00724937⟩