title: One-dimensional uranium-organic coordination polymers: crystal and electronic structures of uranyl-diacetohydroxamate.
abstract: The structure of the uranyl-diacetohydroxamate compound, UO(2)(C(2)NO(2)H(4))(2), was elucidated using a combination of single crystal X-ray diffraction measurements and all-electron scalar relativistic density functional calculations. This polymeric compound crystallizes in the C2/c space group (IT No. 15; a = 12.8386(13) Å, b = 7.5661(7) Å, c = 8.9299(9) Å, β = 103.185(2) °; Z = 4), with main-chain repeating units featuring a bidentate structure analogous to that frequently found for d-block as well as lanthanide metal ions. Density functional analysis reveals that this compound is a semiconductor, with a direct band gap of 1.1 eV.
authors.affiliation: Department of Chemistry and Harry Reid Center for Environmental Studies, University of Nevada-Las Vegas, Las Vegas, NV 89154, USA. weckp@unlv.nevada.edu
authors.forename: Philippe F
authors.initials: PF
authors.lastname: Weck
authors.forename: Cynthia-May S
authors.initials: CM
authors.lastname: Gong
authors.forename: Eunja
authors.initials: E
authors.lastname: Kim
authors.forename: Pierre
authors.initials: P
authors.lastname: Thuéry
authors.forename: Kenneth R
authors.initials: KR
authors.lastname: Czerwinski