Skip to Main content Skip to Navigation
Journal articles

Isotope exchange reactions involving HCO+ with CO: A theoretical approach

Abstract : Aims. We aim to investigate fractionation reactions involved in the 12C/13C, 16O/18O, and 17O balance. Methods. Full-dimensional rovibrational calculations were used to compute numerically exact rovibrational energies and thermal equilibrium conditions to derive the reaction rate coefficients. A nonlinear least-squares method was employed to represent the rate coefficients by analytic functions. Results. New exothermicities are derived for 30 isotopic exchange reactions of HCO+ with CO. For each of the reactions, we provide the analytic three-parameter Arrhenius-Kooij formula for both the forward reaction and backward reaction rate coefficients, that can further be used in astrochemical kinetic models. Rotational constants derived here for the 17O containing forms of HCO+ may assist detection of these cations in outer space.
Complete list of metadatas

Cited literature [28 references]  Display  Hide  Download

https://hal-auf.archives-ouvertes.fr/hal-01599200
Contributor : Mirjana Mladenovic <>
Submitted on : Tuesday, October 13, 2020 - 2:47:23 AM
Last modification on : Thursday, October 15, 2020 - 9:23:17 AM

File

aa31270-17.pdf
Publication funded by an institution

Identifiers

Citation

M. Mladenović, E. Roueff. Isotope exchange reactions involving HCO+ with CO: A theoretical approach. Astronomy and Astrophysics - A&A, EDP Sciences, 2017, 605, pp.A22. ⟨10.1051/0004-6361/201731270⟩. ⟨hal-01599200⟩

Share

Metrics

Record views

430

Files downloads

32