| Abstrakt: |
Using the RKJK potential surface highly excited rovibrational states of D2H+ were calculated and characterized. Band origins are reported for energies up to 9300 cm-1. Term values of the 11 lowest vibrational states are presented with J upto J = 10 for the vibrational states (v1,v2,v3) = (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 nu1, nu2 and nu3 fundamental bands are compared with experimental data. [ABSTRACT FROM AUTHOR] |
