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Soc. 1999, 121, 9712-9721. ; Bursten, B. ; Liang, Andrews, L. Noble Gas-Actinide Compounds: Complexation of the CUO Molecule by Ar, Kr, and Xe Atoms in Noble Gas Matrices. Science 2002, 295, 2242-2245. (c) L. ; Bursten, B. E. Noble Gas-Actinide Complexes of the CUO Molecule with Multiple Ar, Kr, and Xe Atoms in Noble-Gas Matrices. J. Am. Chem. Soc. 2003, 125, 3126-3139. [31] Zhou, M. F. ; Bursten, B. E. Reactions of Th Atoms with CO: The First Thorium Carbonyl Complex and an Unprecedented Bent Triplet Insertion Product.

Our B3LYP calculations find a linear NNThNN molecule and a tetrahedral Th(NN)4 higher species. Using the simple mixture of 14N2 and 15N2 the linear molecule gives the anti-symmetric stretching modes of the pure isotopic molecules at 1895 and 1831 cm-1 plus both symmetric and anti-symmetric modes at 1948 and 1852 cm-1 for the lower symmetry 14-14-Th- 15-15 isotope. The statistical mixture produces a dectet absorption for the strong anti-symmetric stretching mode and three weak bands with observable intensity for mixed isotopic derivatives in the symmetric stretching mode.

Jackson, V. ; Dixon, D. A. Matrix Infrared Spectra and Predicted Properties of Thorium Oxide Species. J. Phys. Chem. A 2011, 115, 14407-14416. [26] Jacox, M. E. The Vibrational Energy Levels of Small Transient Molecules Isolated in Neon and Argon Matrices Chem. Phys. 1994, 189, 149-170. [27] Zhou, M. ; Marsden, C. Infrared Spectra of UO2, UO2+, and UO2- in Solid Neon. J. Phys. Chem. A 2000, 104, 54955502. [28] Liang, B. ; Bursten, B. E. Experimental and Theoretical Studies of the Products of Laser-Ablated Thorium Atom Reactions with H2O in Excess Argon.

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