The rate of the reaction between C2H and C2H2 at interstellar temperatures.
The reaction between the radical C2H and the stable hydrocarbon C2H2 is one of the simplest neutral-neutral hydrocarbon reactions in chemical models of dense interstellar clouds and carbon-rich circumstellar shells. Although known to be rapid at temperatures > or = 300 K, the reaction has yet to be studied at lower temperatures. We present here ab initio calculations of the potential surface for this reaction and dynamical calculations to determine its rate at low temperature. Despite a small potential barrier in the exit channel, the calculated rate is large, showing that this reaction and, most probably, more complex analogs contribute to the formation of complex organic molecules in low-temperature sources.
Herbst
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Department of Physics, Ohio State University, Columbus 43210-1106, USA. herbst@ohstpy.mps.ohio-state.edu
Woon
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D000114:Acetylene / Q000737:chemistry*; D001256:Astronomy / Q000379:methods*; D002244:Carbon / Q000737:chemistry; D003198:Computer Simulation; D005118:Extraterrestrial Environment; D005609:Free Radicals / Q000737:chemistry; D006838:Hydrocarbons / Q000737:chemistry*; D008433:Mathematics; D008956:Models, Chemical; D008958:Models, Molecular; D012984:Software; D013696:Temperature; D013816:Thermodynamics
D005609:Free Radicals; D006838:Hydrocarbons; D002244:Carbon; D000114:Acetylene