Infrared spectroscopy of extreme coordination: The carbonyls of U + and UO2+

Allen M. Ricks, Laura Gagliardi, Michael A. Duncan

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Uranium and uranium dioxide carbonyl cations produced by laser vaporization are studied with mass-selected ion infrared spectroscopy in the C-O stretching region. Dissociation patterns, spectra, and quantum chemical calculations establish that the fully coordinated ions are U(CO)8+ and UO2(CO)5+, with D4d square antiprism and D5h pentagonal bipyramid structures. Back-bonding in U(CO) 8+ causes a red-shifted CO stretch, but back-donation is inefficient for UO2(CO)5+, producing a blue-shifted CO stretch characteristic of nonclassical carbonyls.

Original languageEnglish (US)
Pages (from-to)15905-15907
Number of pages3
JournalJournal of the American Chemical Society
Issue number45
StatePublished - Nov 17 2010

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