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ABSTRACT Detection of the AlCl molecule in IRC+10216 has been reported in the literature. We here report calculations of reaction rate constants for formation of AlCl through radiative association of Al and Cl for a temperature interval of 1000 to 14000 K. Potential energy and permanent/transition dipole moment curves were taken from the literature. Quantum mechanical and semiclassical/classical methods were used to obtain the reaction cross-sections and thermal rate constants, accounting for shape resonances with Breit–Wigner theory. Both the A¹ X¹ ^+ transition and the X¹ ^+ X¹ ^+ transition have been treated, with results showing that the former dominates for the temperatures considered in this study. Our rate constants are a factor of two to three larger than previously calculated values, where the latter were obtained without considering resonances or the X¹ ^+ X¹ ^+ transition. Our new values do however not change the previous conclusion that radiative association can only contribute modestly to the formation of AlCl under the given conditions.
Jones et al. (Mon,) studied this question.