Ab initio vibration-rotation spectra of triterated isotopologues of H3+

Vibration-rotation energy levels for T3+, H2T+, T2H+, D2T+ and T2D+ are reported. These were calculated using the high accuracy model of Polyansky and Tennyson (J. Chem. Phys. 110 (1999) 5056) which explicitly allows for both adiabatic and non-adiabatic corrections to the Born-Oppenheimer approximation. These levels should be reliable to better than 0.05 cm−1 and can thus be used to make reliable predictions of infrared spectra for the triterated H3+ species.