Determination of branching ratios for the reactions of H3O+ with ethylbenzenes as a function of relative kinetic energy

A deuterium-labeling study on the reproduction of hydronium ions in the PTR-MS detection of ethanol

“…This likely reflects the fact that an abstraction of an H atom at the 2-position of protonated ethanol to form an H 3 O + ion is easier than an abstraction of an H atom at the 1-position. A similar result was obtained in the fragmentation process of protonated ethylbenzene [17].…”

“…We used a commercially available PTR-MS instrument (Ionicon Analytik) [15,17,18]. Briefly, H 3 O + ions were produced from a pure water vapor flow of 7.8 sccm in a hollow cathode discharge ion source.…”

“…The values for reactions (2b) and (2d ␣ ) were estimated based on the data for CH 3 CD 2 OH, while those for reaction (2d ␤ ) were estimated based on the data for CD 3 CH 2 OH. In addition, a previously determined [17] multiplication factor for the isotope effect that favors H migration over D migration, 1.63 ± 0.04, was included in the derivation of the values for reactions (2d ␣ ) and (2d ␤ ). The values for reaction (2c) were estimated from the averaged value of protonated non-deuterium-labeled and deuterium-labeled ethanols.…”

Reactivity of C2H5+ with Benzene: Formation of Ethylbenzenium Ions and Implications for Titan’s Ionospheric Chemistry

“…Accordingly, we conclude that the encounter complex produced in the reaction of ethyl cation with benzene can rearrange into protonated ethylbenzene and further dissociates into other channels. As amply shown by the fundamental works of Kuck on the mass spectrometry of alkylbenzenes and in related experimental and theoretical studies, ,,,, the main fragmentation channel of ethylbenzenium ions is the elimination of an ethylene molecule leading to C 6 H 7 + . The overall process C 2 H 5 + + C 6 H 6 → C 8 H 11 + → C 6 H 7 + + C 2 H 4 is mass-spectrometrically indistinguishable from the direct proton-transfer channel () described above.…”