Details

Autor(en) / Beteiligte

• Žabka, Jan
• Polášek, Miroslav
• Ascenzi, Daniela
• Tosi, Paolo
• Roithová, Jana
• Schröder, Detlef

Titel

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

Ist Teil von

• The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-10, Vol.113 (42), p.11153-11160

Ort / Verlag

United States: American Chemical Society

Erscheinungsjahr

2009

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The reaction of ethyl cation with benzene has been investigated in a combined experimental and theoretical approach. Under single collision conditions, proton transfer affording protonated benzene concomitant with neutral ethene represents the major reaction channel. From pressure-dependent measurements, an absolute cross section of 7 ± 2 Å2 at hyperthermal energies (about 1.0 eV in the center of mass frame) is derived for this channel, from which a phenomenological rate constant of about 2.9 × 10−10 cm3 s−1 is estimated at low energies. The energy behavior of the cross section as well as several side reactions leading to C−C coupling imply that the reaction of C2H5 + with C6H6 proceeds via a long-lived association product, presumably the covalently bound protonated ethylbenzene (ethylbenzenium ion). With regard to chemical processes in the atmosphere of Titan, present results imply that termolecular association of C2H5 + with benzene to produce protonated ethylbenzene is very likely to occur. The condensation of alkyl cations with arenes thus provides an alternative route for the growth of larger hydrocarbon molecules.