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Noble Gas-Actinide Compounds: Complexation of the CUO Molecule by Ar, Kr, and Xe Atoms in Noble Gas Matrices

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Science  22 Mar 2002:
Vol. 295, Issue 5563, pp. 2242-2245
DOI: 10.1126/science.1069342

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Abstract

The CUO molecule, formed from the reaction of laser-ablated U atoms with CO in a noble gas, exhibits very different stretching frequencies in a solid argon matrix [804.3 and 852.5 wave numbers (cm−1)] than in a solid neon matrix (872.2 and 1047.3 cm−1). Related experiments in a matrix consisting of 1% argon in neon suggest that the argon atoms are interacting directly with the CUO molecule. Relativistic density functional calculations predict that CUO can bind directly to one argon atom (U-Ar = 3.16 angstroms; binding energy = 3.2 kilocalories per mole), accompanied by a change in the ground state from a singlet to a triplet. Our experimental and theoretical results also suggest that multiple argon atoms can bind to a single CUO molecule.

  • * To whom correspondence should be addressed. E-mail: bursten.1{at}osu.edu (B.E.B.); lsa{at}unix.mail.virginia.edu (L.A.)

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