AI Article Synopsis
- The study investigates how hydrogen atoms are displaced in the reaction between nitrogen in its excited state and ethylene, using crossed molecular beam techniques to analyze the outcomes at two different energy levels.
- The researchers utilize new electronic structure calculations to better understand the potential energy landscape and product formation from the reaction of C(2)H(4) and N.
- The findings are compared to previous experiments that utilized VUV synchrotron radiation for ionization, highlighting both similarities and differences while discussing the implications for Titan's atmospheric chemistry.
Article Abstract
The dynamics of the H displacement channels in the reaction N((2)D) + C(2)H(4) 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 C(2)H(4)N 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 crossed beam experiments coupled to ionization via tunable VUV synchrotron radiation are discussed (Lee, S.-H.; et al. Phys. Chem. Chem. Phys.2011, 13, 8515-8525). Implications for the atmospheric chemistry of Titan are presented.
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| http://dx.doi.org/10.1021/jp3072316 | DOI Listing |
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