Document Detail


Combined Crossed Beam and Theoretical Studies of the N((2)D)+C(2)H(4) Reaction and Implications for Atmospheric Models of Titan.
MedLine Citation:
PMID:  23016665     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
The dynamics of the H-displacement channels in the reaction N(2D) + C2H4 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 C2H4N 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 cross beam experiments coupled to ionization via tunable VUV synchrotron radiation are discussed [Lee, S.-H. et al., Phys. Chem. Chem. Phys. 2011, 13, 8515]. Implications for the atmospheric chemistry of Titan are presented.
Authors:
Nadia Balucani; Dimitrios Skouteris; Francesca Leonori; Raffaele Petrucci; Mathias Hamberg; Wolf D Geppert; Piergiorgio Casavecchia; Marzio Rosi
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-9-27
Journal Detail:
Title:  The journal of physical chemistry. A     Volume:  -     ISSN:  1520-5215     ISO Abbreviation:  J Phys Chem A     Publication Date:  2012 Sep 
Date Detail:
Created Date:  2012-9-28     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9890903     Medline TA:  J Phys Chem A     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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