Interaction potential of Al3+-Ne and the mobility of Al3+ in He and Ne

The complex between the triply-charged cation Al3+ and a neon atom is investigated using high-level ab initio calculations. Vibrational and rotational spectroscopic parameters are calculated. It is concluded that the Al3+. Ne complex is kinetically stable and should be observable. We also report calculated mobilities of Al3+ ions moving through He and Ne, the first report of the mobility of a trication.

CASSCF + MRCI + Q potential energy curves for Al3+-Ne and Al2+-Ne+. There is an avoided crossing between the two 1Σ+ states.