An ab initio description of the low-lying electronic states of NF2 and its ions

The X 2B1, 1 2A1, 2 2A1, 1 2B2, 1 2A2 states of NF2, the X 1A1, 1 3B1, 1 3A2, 1 1A2, 1 1B1, 1 3B2, 1 1B2 states of NF 2 + , and the X 1A1, 1 3B1, 1 3A2, 1 1B1, 2 1A1 1 1A2 states of NF 2 - were characterized by the MRCI calculations. The adiabatic excitation energies were extrapolated to their complete basis set limits. The electronic states of NF 2 - were studied for the first time and the electron affinity of NF2 was revisited. The results may serve as reliable input parameters in modeling the plasmochemical processes involving NF2 and its ions.