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

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Abstract
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−1 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.