Rotation-vibrational states of D₃⁺ computed using hyperspherical harmonics

Abstract

An extensive collection is presented of ro-vibrational term values for D₃ ⁺ computed from the highly accurate RKJK potential surface. Band origins are given for energies below 10 000 cm^-1. The analysis of the rotational structure includes all vibrational states with up to threefold vibrational excitation, and term values are given up to J = 8 for the states (ν₁, ν₂) = (0, 0), (0, 1), (1, 0), (0, 2), (1, 1) and (2, 0), up to J = 6 for the states (2, 1) and (3, 0) and up to J = 5 for the states (0, 3) and (1, 2). The results obtained here are compared with the available experimentally observed transition energies. Of the 11 observed but so far unidentified transitions, two could now be assigned uniquely.