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

Gary P. Kushto, Philip F. Souter, Lester Andrews, Matthew Neurock

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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 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.

Original languageEnglish (US)
Pages (from-to)5894-5903
Number of pages10
JournalJournal of Chemical Physics
Volume106
Issue number14
StatePublished - Apr 8 1997

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