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The formyl cation (HCO+) is one of the most abundant ions in molecular cloudsand plays a major role in the interstellar chemistry. For this reason, accuratecollisional rate coefficients for the rotational excitation of HCO+ and itsisotopes due to the most abundant perturbing species in interstellarenvironments are crucial for non-local thermal equilibrium models and deservespecial attention. In this work, we determined the first hyperfine resolvedrate coefficients of HC17O+ in collision with H2 (j=0). Indeed, despite noscattering calculations on its collisional parameters have been performed sofar, the HC17O+ isotope assumes a prominent role for astrophysical modellingapplications. Computations are based on a new four dimensional (4D) potentialenergy surface, obtained at the CCSD(T)-F12a/aug-cc-pVQZ level of theory. Atest on the corresponding cross section values pointed out that, to a goodapproximation, the influence of the coupling between rotational levels of H2can be ignored. For this reason, the H2 collider has been treated as aspherical body and an average of the potential based on five orientations of H2has been employed for scattering calculations. State-to-state rate coefficientsresolved for the HC17O+ hyperfine structure for temperature ranging from 5 to100 K have been computed using recoupling techniques. This study provides thefirst determination of HC17O+/H2 inelastic rate coefficients directly computedfrom full quantum close-coupling equations, thus supporting the reliability offuture radiative transfer modellings of HC17O+ in interstellar environments.

Hyperfine resolved rate coefficients of HC17O+ with H2 (j = 0)