Calculations concerning the reaction C + H3(+) - CH(+) + H2

Details Calculations concerning the reaction C + H3(+) - CH(+) + H2 Calculations concerning the reaction C + H3(+) - CH(+) + H2

Jun 1991

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1991apj...374..390t&link_type=abstract

Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 374, June 10, 1991, p. 390-393.

Astronomy and Astrophysics

Astrophysics

2

Association Reactions, Hydrocarbons, Interstellar Chemistry, Interstellar Matter, Molecular Clouds, Organic Compounds, Ion Atom Interactions, Molecular Structure, Quantum Chemistry

Scientific paper

The ion-molecule reaction of C + H3(+) - CH(+) + H2 has not been studied in the laboratory but is thought to be important in the gas phase synthesis of organic molecules in dense interstellar clouds. This reaction was studied theoretically by performing quantum chemical ab initio calculations on the potential surface. It is found that there is no activation barrier to the reaction and that it proceeds smoothly to the first excited electronic state of CH(+). The rate coefficient as a function of temperature can then be estimated using the proper long-range potentials. The rate coefficient at 10 K is calculated to be 2.9 x 10 to the -9th cu cm/sec.

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