Binary iron-dinitrogen compounds synthesized by co-deposition of mass-selected Fe, Fe-2, and Fe-3 with N-2

Iron-nitrogen binary complexes were synthesized by co-depositing mass-selec ted Fe+, Fa(2)(+), and Fe-3(+) with N-2 and electrons to form a matrix. The resulting compounds were observed using FTIR spectroscopy. The trigonal-bi pyramidal Fe(N-2)(5) structure assigned from the spectra of the Fe+ deposit s is supported by density functional calculations involving full geometry o ptimizations with all symmetry conditions relaxed for Fe(N-2)(x) (x = 1 to 5) binary compounds. FTIR spectra of Fe-2(N-2)(x) and Fe-3(N-2)(y) are also reported. Structures for the dimer and trimer dinitrogen complexes have no t been deduced since the spectra are too weak to perform isotopic substitut ion experiments.