Are Neutral-Neutral Reactions Effective for the Carbon-Chain Growth of Cyanopolyynes and Polyacetylenes in Interstellar Space?

Details Are Neutral-Neutral Reactions Effective for the Carbon-Chain Growth of Cyanopolyynes and Polyacetylenes in Interstellar Space? Are Neutral-Neutral Reactions Effective for the Carbon-Chain Growth of Cyanopolyynes and Polyacetylenes in Interstellar Space?

Sep 1998

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1998apj...505..278f&link_type=abstract

The Astrophysical Journal, Volume 505, Issue 1, pp. 278-285.

Astronomy and Astrophysics

Astronomy

16

Ism: Structure, Ism: Molecules, Molecular Processes

Scientific paper

Ab initio molecular quantum-mechanical methods have been applied to explore the possibility of neutral-neutral reactions leading to the formation of cyanopolyynes and polyacetylenes in interstellar cloud. Potential energy surfaces for the reactions between the CN radical and polyacetylenes indicate that all reactions, C_2nH_2 + CN (n = 1-4), which form HC_2n+1N molecules, are exothermic and have no energy barriers. We have also examined the possibility of the various product channels from the reactions C_2nH_2 + CN based on the thermochemical relationships. The theoretical results show that none of the product channels is exothermic except the case which produces HC_2n+1N, with the carbon chain being longer than the reactant polyacetylene. Similar results are obtained for the regioselectivity of the reactions, C_2nH_2 + C_2H (n = 1-4), to produce hydrocarbons. The only possible products from the latter reactions are shown to be HC_2n+2H + H under the conditions of interstellar space. These results clearly demonstrate the importance of the neutral-neutral reactions on the carbon-chain growth of cyanopolyynes and polyacetylenes.

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