title: Combined crossed beam and theoretical studies of the N(2D) + C2H4 reaction and implications for atmospheric models of Titan.
abstract: The dynamics of the H displacement channels in the reaction N((2)D) + C(2)H(4) have been investigated by the crossed molecular beam technique with mass spectrometric detection and time-of-flight analysis at two different collision energies (17.2 and 28.2 kJ/mol). The interpretation of the scattering results is assisted by new electronic structure calculations of stationary points and product energetics for the C(2)H(4)N ground state doublet potential energy surface. RRKM statistical calculations have been performed to derive the product branching ratio under the conditions of the present experiments and of the atmosphere of Titan. Similarities and differences with respect to a recent study performed in crossed beam experiments coupled to ionization via tunable VUV synchrotron radiation are discussed (Lee, S.-H.; et al. Phys. Chem. Chem. Phys.2011, 13, 8515-8525). Implications for the atmospheric chemistry of Titan are presented.
authors.affiliation: Dipartimento di Chimica, Università degli Studi di Perugia, 06123 Perugia, Italy. nadia.balucani@unipg.it
authors.forename: Nadia
authors.initials: N
authors.lastname: Balucani
authors.forename: Dimitrios
authors.initials: D
authors.lastname: Skouteris
authors.forename: Francesca
authors.initials: F
authors.lastname: Leonori
authors.forename: Raffaele
authors.initials: R
authors.lastname: Petrucci
authors.forename: Mathias
authors.initials: M
authors.lastname: Hamberg
authors.forename: Wolf D
authors.initials: WD
authors.lastname: Geppert
authors.forename: Piergiorgio
authors.initials: P
authors.lastname: Casavecchia
authors.forename: Marzio
authors.initials: M
authors.lastname: Rosi