Reactions of Laser-Ablated Iron Atoms with N2O, NO, and O2 in Condensing Nitrogen. Infrared Spectra and Density Functional Calculations of Ternary Iron Nitride Oxide Molecules

Reactions of laser-ablated Fe atoms with N 2 O, NO, and O 2 in excess N 2 during condensation at 10 K produced new absorptions with 15 N and 18 O shifts that are assigned to the new ternary iron nitride oxide molecules NFeO, NFeO 2, and N 2 FeO. DFT calculations of structure and isotopic frequencies support these assignments.