Theoretical studies of AlF, AlCl, and AlBr

Spectroscopic constants have been obtained for the lowest six singlet and lowest five triplet states of AlF and AlCl. The results suggest that the correct ordering of the triplet manifold in these molecules is: a 3Pi, b 3Sigma(+), c 3Sigma(+), d 3Pi, and e 3Delta. Radiative lifetimes have been determined for the excited states, and the A 1Pi to X 1Sigma(+) transition in AlF, AlCl, and AlBr has been examined in detail. A-X transition moment functions, Einstein coefficients, and A 1Pi vibrational lifetimes have been obtained for AlF and AlCl.