ROTATION-VIBRATIONAL STATES OF D2H+ COMPUTED USING HYPERSPHERICAL HARMONICS

Using the RKJK potential surface highly excited rovibrational states o f D2H+ were calculated and characterized. Band origins are reported fo r energies up to 9300 cm(-1). Term values of the 11 lowest vibrational states are presented with J up to J = 10 for the vibrational states ( v(1), v(2), v(3)) = (0, 0, 0) and (1, 0, 0), up to J = 8 for (0, 1, 0) and (0, 0, 1), up to J = 7 or J = 6 for (0, 2, 0), (2, 0, 0) and (0, 3, 0), and up to J = 4 for the states (0, 0, 2), (0, 1, 1), (1, 1, 0) and (1, 0, 1). Calculated transition frequencies for the v(1), v(2) an d v(3) fundamental bands are compared with experimental data.