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[21.10] Computational Characterization of Reactions Between the Ethynyl Radical and Alkynes and Alkenes Relevant to Tholin Growth in Titan's Atmosphere

D.E. Woon (Molecular Research Institute)

In the anticipation of developing a chemical growth model for Titan tholin, density function theory quantum chemical calculations have been performed for reactions between the ethynyl radical and a number of unsaturated hydrocarbon species, including acetylene, diacetylene, propyne, 1-butyne, ethylene, and benzene. Most of these reaction surfaces involve numerous intermediates and transition states and some include multiple product channels. Reaction rates and product distributions will be presented, as well as an overview of the Titan Tholin Construction Kit. Support for this work by the NASA Planetary Atmospheres program (grant NAG5-12305) is gratefully acknowledged.

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Bulletin of the American Astronomical Society, 35 #4
© 2003. The American Astronomical Soceity.