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  • Title: Infrared spectra and density functional calculations of the SUO2 molecule.
    Author: Wang X, Andrews L, Marsden CJ.
    Journal: Inorg Chem; 2009 Jul 20; 48(14):6888-95. PubMed ID: 19545113.
    Abstract:
    Reactions of laser-ablated U atoms with SO(2) molecules gave the very stable U(VI) molecule, SUO(2), as the major product. Infrared absorptions for two new O=U=O stretching modes were observed in solid argon and neon. The band assignments were confirmed by appropriate (34)SO(2), S(18)O(2), and S(16,18)O(2) isotopic shifts. B3LYP and BPW91 density functional calculations were performed to determine molecular structure, vibrational frequencies, and isotopic shifts. The C(2v) structure is analogous to those computed for UO(3) and US(3). Minor products were identified as SUO, the SUO(2)(+) cation, and the (SO(2))(SUO(2)) adduct.
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