A matrix isolation FT-IR and quasirelativistic density functional theory investigation of the reaction products of laser-ablated uranium atoms with NO, NO₂ and N₂O

The reaction products of laser-ablated uranium atoms with nitrogen oxide reagent gases were trapped in excess argon at 6-7 K. Infrared spectra of the resulting matrices revealed the presence of several new product species. Major bands at 983.6 and 818.9 cm^-1 in the infrared spectra of the reaction products of U atoms with ¹⁴N¹⁶O are due to the U-N and U-O stretching vibrations, respectively, of the linear NUO molecule. Weaker absorptions at 845.9 cm^-1 and 718.3 cm in similar experiments are indicative of a "T" shaped NUO₂ species. A weaker 1017.0 cm^-1 band provides evidence for the cation/anion pair [NUO]⁺[NO]^-. Several possible products of the reaction of uranium atoms with nitrogen oxides have been further characterized by quasirelativistic density functional calculations.