Volume 147, 2010

Formation of nitriles and imines in the atmosphere of Titan: combined crossed-beam and theoretical studies on the reaction dynamics of excited nitrogen atomsN(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.

Article information

Article type
Paper
Submitted
30 Mar 2010
Accepted
14 Apr 2010
First published
06 Aug 2010

Faraday Discuss., 2010,147, 189-216

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

N. Balucani, F. Leonori, R. Petrucci, M. Stazi, D. Skouteris, M. Rosi and P. Casavecchia, Faraday Discuss., 2010, 147, 189 DOI: 10.1039/C004748A

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