1993 Volume 66 Issue 11 Pages 3345-3351
The reaction mechanisms involving the formation of hydrocarbons in interstellar space were examined in terms of an ab initio molecular orbital calculation. The reaction energies and potential energy surfaces producing CH and C2H were evaluated based on the scheme for ion-molecule reactions proposed by the late H. Suzuki. According to the very attractive potentials of positive ions with the hydrogen molecule, most of the reactions proceed via energy-rich intermediates, such as CH4+, C2H+, C2H2+, C2H3+, and C3H+. Consequently, the model proposed by Suzuki has been confirmed concerning the result that the reactions are exothermic and without an energy barrier up to C3+ formation.
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