A theoretical study of the H3(+) + CO protonation process. I - The formation of HCO(+)

Details A theoretical study of the H3(+) + CO protonation process. I - The formation of HCO(+) A theoretical study of the H3(+) + CO protonation process. I - The formation of HCO(+)

Jul 1987

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1987a%26a...181..394t&link_type=abstract

Astronomy and Astrophysics (ISSN 0004-6361), vol. 181, no. 2, July 1987, p. 394-397. CNRS-supported research.

Other

5

Cosmochemistry, Formyl Ions, Interstellar Matter, Molecular Clouds, Chemical Reactions, Exothermic Reactions, Positive Ions, Protons

Scientific paper

The potential hypersurface for protonation of CO by H3+ has been calculated in order to determine whether an activation barrier is to be found on the formation path of HCO+ by direct proton transfer. The calculations confirm the hypothesis of no barrier at all. The potential hypersurface for protonation of CO by H+ has also been plotted at an equivalent level of calculation, so that to test the validity of such a protonation model. In the region of activation barriers where bumps are expected to appear, the two curves are found strictly parallel, which justifies such a type of modelization.

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