The ground and first few excited electronic states of FH2 have been calculated by the MRD-CI method, in an effort to make predictions on the Rydberg spectrum of this molecule. The results show that the excited Rydberg states, up to the 4p levels (in the united atom notation), are bound and have minima at geometries similar to that of the cation FH2 + except the first excited state, which is also found to be bound but with minimum energy at a considerably longer bond length. The most intense bound-bound transitions are predicted to occur from the 3d, 4p, and 4s states to the first excited state 1 2B2(3p).

Additional Metadata
Journal The Journal of Chemical Physics
Citation
Petsalakis, I.D., Theodorakopoulos, G., Wright, J.S, & Hamilton, I.P. (1988). The Rydberg states of FH2. The Journal of Chemical Physics, 88(12), 7633–7637.