Formation of Al containing molecular complexes in the gas phase in dense molecular clouds: quantum study of the radiative association of Al++H2 and Al++D2

Radiative association (RA) of Al+ with H-2 is the first step in the formation of AlH in gas phase and is here investigated theoretically. We use recent potential energy and dipole moment surfaces and a quantum approach based on the driven equations formalism for performing the dynamics for both the Al+-H-2 and Al+-D-2 systems. The obtained RA rate coefficients are compared with previous evaluations based on transition state theory and found to be orders of magnitude larger. They are also compared to those obtained recently for the similar systems Na+-H-2/D-2. The possible role played by RA of Al+ with H-2 in the gas phase chemistry of dense molecular clouds is discussed.

Automated summary

In this study, the radiative association of Al+ with H-2 was theoretically investigated using recent potential energy and dipole moment surfaces. The obtained rate coefficients were found to be orders of magnitude larger than previous evaluations based on transition state theory. Comparison with similar systems and discussion on the possible role in the gas phase chemistry of dense molecular clouds were also conducted.