title: Formation of nitriles and imines in the atmosphere of Titan: combined crossed-beam and theoretical studies on the reaction dynamics of excited nitrogen atoms N(2D) with ethane.
abstract: The dynamics of the H-displacement channels in the reaction N(2D) + C2H6 have been investigated by the crossed molecular beam technique with mass spectrometric detection and time-of-flight analysis at two different collision energies (18.0 and 31.4 kJ mol(-1)). From the derived center-of-mass product angular and translational energy distributions the reaction micromechanisms and the product energy partitioning have been obtained. The interpretation of the scattering results is assisted by new ab initio electronic structure calculations of stationary points and product energetics for the C2H6N ground state doublet potential energy surface. C-C bond breaking and NH production channels have been theoretically characterized and the statistical branching ratio derived at the temperatures relevant for the atmosphere of Titan. Methanimine plus CH3 and ethanimine plus H are the main reaction channels. Implications for the atmospheric chemistry of Titan are discussed.
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: Francesca
authors.initials: F
authors.lastname: Leonori
authors.forename: Raffaele
authors.initials: R
authors.lastname: Petrucci
authors.forename: Massimiliano
authors.initials: M
authors.lastname: Stazi
authors.forename: Dimitris
authors.initials: D
authors.lastname: Skouteris
authors.forename: Marzio
authors.initials: M
authors.lastname: Rosi
authors.forename: Piergiorgio
authors.initials: P
authors.lastname: Casavecchia