Rotational relaxation of HCO+ and DCO+ by collision with H2
Idioma
en
Article de revue
Este ítem está publicado en
Monthly Notices of the Royal Astronomical Society. 2020, vol. 497, n° 4, p. 4276 - 4281
Oxford University Press (OUP): Policy P - Oxford Open Option A
Resumen en inglés
The HCO + and DCO + molecules are commonly used as tracers in the interstellar medium. Therefore, accurate rotational rate coefficients of these systems with He and H 2 are crucial in non-local thermal equilibrium models. ...Leer más >
The HCO + and DCO + molecules are commonly used as tracers in the interstellar medium. Therefore, accurate rotational rate coefficients of these systems with He and H 2 are crucial in non-local thermal equilibrium models. We determine in this work the rotational de-excitation rate coefficients of HCO + in collision with both para-and ortho-H 2 , and also analyse the isotopic effects by studying the case of DCO +. A new four-dimensional potential energy surface from ab initio calculations was developed for the HCO +-H 2 system, and adapted to the DCO +-H 2 case. These surfaces are then employed in close-coupling calculations to determine the rotational de-excitation cross-sections and rate coefficients for the lower rotational states of HCO + and DCO +. The new rate coefficients for HCO + + para-H 2 were compared with the available data, and a set of rate coefficients for HCO + + ortho-H 2 is also reported. The difference between the collision rates with ortho-and para-H 2 is found to be small. These calculations confirm that the use of the rate coefficients for HCO + + para-H 2 for estimating those for HCO + + ortho-H 2 as well as for DCO + + para-H 2 is a good approximation.< Leer menos
Palabras clave en inglés
astrochemistry
molecular data
molecular processes
scattering
ISM: molecules
Orígen
Importado de HalCentros de investigación