| 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. | |
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MedLine Citation:
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PMID: 21302548 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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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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Authors:
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Nadia Balucani; Francesca Leonori; Raffaele Petrucci; Massimiliano Stazi; Dimitris Skouteris; Marzio Rosi; Piergiorgio Casavecchia |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Faraday discussions Volume: 147 ISSN: 1359-6640 ISO Abbreviation: Faraday Discuss. Publication Date: 2010 |
Date Detail:
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Created Date: 2011-02-09 Completed Date: 2011-02-09 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9212301 Medline TA: Faraday Discuss Country: England |
Other Details:
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Languages: eng Pagination: 189-216; discussion 251-82 Citation Subset: - |
Affiliation:
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Dipartimento di Chimica, Università degli Studi di Perugia, 06123, Perugia, Italy. nadia.balucani@unipg.it |
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