AB-INITIO INVESTIGATIONS OF THE BOUND ROVIBRATIONAL LEVELS OF NEH2+, NEHD+, AND NED2+

Bound rovibrational levels have been calculated for NeH2+, NeHD+, and NeD2+ using three recent fits to an accurate ab initio PES. The NeH2molecule behaveS essentially as a linear molecule, the predicted rotat ional constant is 2.57 cm-1. The fundamental frequencies are 811, 1189 , and 1748 cm-1 for the Ne-H-2+ stretch, the Ne-H-2+ bend and H-2+ str etching modes, respectively.