Details

Autor(en) / Beteiligte

• Christianson, Matthew G.
• Doner, Anna C.
• Koritzke, Alanna L.
• Frandsen, Kelsey
• Rotavera, Brandon

Titel

Vacuum-ultraviolet absorption cross-sections of functionalized cyclic hydrocarbons: Five-membered rings

Ist Teil von

• Journal of quantitative spectroscopy & radiative transfer, 2021-01, Vol.258, p.107274, Article 107274

Ort / Verlag

Elsevier Ltd

Erscheinungsjahr

2021

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• •Quantitative, high-resolution absorption spectra measured in the vacuum-ultraviolet for five-membered cyclic hydrocarbons and oxygenates, the majority of which for the first time.•Absorption cross-sections measured for intermediates relevant to combustion chemistry and atmospheric chemistry.•Detailed uncertainty analysis calculations conducted.•Extensive comparison with literature. Cross-sections were measured at 50 °C and 800 Torr using differential absorption spectroscopy in the vacuum-ultraviolet from 5.17 – 9.92 eV for a series of five-membered cyclic hydrocarbons: cyclopentane, cyclopentene, methylcyclopentane, tetrahydrofuran, furan, 2-methyltetrahydrofuran, 2,3-dihydro-5-methylfuran, tetrahydrofuran-3-one, 2-methyl-1,3-dioxolane, cyclopentanol, 2-hydroxytetrahydrofuran, cyclopentanone, 2-cyclopenten-1-one, 3-cyclopenten-1-one, 2-methylcyclopentan-1-one, 2-methylcyclopent-2-en-1-one, 1,2-epoxycyclopentane, 2,3-epoxycyclopentanone, and 3,4-epoxycyclopentanone. The majority of the species are functionalized and are directly related to chain-reactions relevant to combustion, such as substituted cyclic ethers and cycloalkenes. Uncertainty calculations were conducted as a function of photon energy to quantify errors associated with experimental repeatability, signal-to-noise ratio, and gas-phase concentration, yielding an upper limit of 5% in spectral regions where absorption is >2%. The primary objective of the present work is to provide quantitative absorption cross-sections of species commonly produced in combustion reactions. Comparing qualitative differences among the five-membered cyclic species, in order to analyze the effect of functional groups on absorption, is a secondary objective. The majority of the spectra are reported for the first time and enable quantitative isomer-resolved speciation measurements in combustion chemistry.