Rotational excitation of interstellar benzonitrile by helium atoms

Abstract: Interstellar aromatic molecules such as polycyclic aromatic hydrocarbons and polycyclic nitrogen and oxygen bearing molecules are thought to be abundant in the interstellar medium. In this class of molecules, benzonitrile ($c$-C$_6$H$_5$CN) plays an important role as a proxy for benzene. It has been detected through rotational emission in several astrophysical sources and is one of the simplest N-bearing polar aromatic molecules. Even in the cold ISM, the population of the rotational levels of benzonitrile might not be at equilibrium. Consequently, modeling its detected emission lines requires a prior computation of its quenching rate coefficients by the most abundant species in the ISM (He or H$_2$). In this paper, we focus on the excitation of c-C$_6$H$_5$CN by collision with He. We compute the first potential energy surface (PES) using the explicitly correlated coupled cluster method in conjunction with large basis sets. The PES obtained is characterized by a potential well depth of -97.2 cm$^{-1}$ and an important anisotropy. Scattering computations of the rotational (de-)excitation of c-C$_6$H$_5$CN by He atoms are performed by means of the coupled states approximation that allow to obtain collisional rates for rotational states up to $j$ = 9 and temperatures up to 40 K. These rate coefficients are then used to examine the effect of C$_6$H$_5$CN excitation induced by collisions with para-H$_2$ in molecular clouds by carrying out simple radiative transfer calculations of the excitation temperatures and show that non-equilibrium effects can be expected for H$_2$ densities up to 10$^5$-10$^6$ cm$^{-3}$.