Combined Crossed Beamand Theoretical Studies of theN(2D) + C2H4Reaction and Implicationsfor Atmospheric Models of Titan.

The dynamics of the H displacement channels in the reactionN(2D) + C2H4have been investigatedbythe crossed molecular beam technique with mass spectrometric detectionand time-of-flight analysis at two different collision energies (17.2and 28.2 kJ/mol). The interpretation of the scattering results isassisted by new electronic structure calculations of stationary pointsand product energetics for the C2H4N groundstate doublet potential energy surface. RRKM statistical calculationshave been performed to derive the product branching ratio under theconditions of the present experiments and of the atmosphere of Titan.Similarities and differences with respect to a recent study performedin crossed beam experiments coupled to ionization via tunable VUVsynchrotron radiation are discussed (Lee, S.-H.; et al. Phys.Chem. Chem. Phys.2011, 13,8515–8525). Implications for the atmospheric chemistry of Titanare presented. [ABSTRACT FROM AUTHOR]