On the deuteration of C3H2 in dense interstellar clouds via the reaction C3H3+ + HD -> C3H2D+ + H2

Details On the deuteration of C3H2 in dense interstellar clouds via the reaction C3H3+ + HD -> C3H2D+ + H2 On the deuteration of C3H2 in dense interstellar clouds via the reaction C3H3+ + HD -> C3H2D+ + H2

Sep 2001

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2001a%26a...376..663t&link_type=abstract

Astronomy and Astrophysics, v.376, p.663-666 (2001)

Astronomy and Astrophysics

Astrophysics

3

Ism: Abundances, Ism: Molecules, Molecular Processes

Scientific paper

Although deuterium isotope fractionation in cold, dark interstellar clouds is reasonably well understood via gas-phase chemistry, there are some discrepancies between observation and theory. For example, the observed abundance ratio between the deuterated species C3HD and the cyclic molecule C3H2 is significantly higher than most theoretical values unless the exchange reaction C3H3+ + HD -> C3H2D+ + H2 is efficient. In this paper, we report quantum chemical and dynamical calculations on this reaction, which show it to possess a large activation energy barrier and to be very slow at all normal interstellar temperatures.

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