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Volume 147, 2010
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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

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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.

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Publication details

The article was received on 30 Mar 2010, accepted on 14 Apr 2010 and first published on 06 Aug 2010


Article type: Paper
DOI: 10.1039/C004748A
Faraday Discuss., 2010,147, 189-216

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    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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