Journal article
Combined Triple and Double Bonds to Uranium: The N U=N-H Uranimine Nitride Molecule Prepared in Solid Argon
Inorganic chemistry, Vol.50(8), pp.3826-3831
04/18/2011
DOI: 10.1021/ic2003244
PMID: 21405096
Abstract
Reactions of laser-ablated U atoms with N-2 and H-2 mixtures upon codeposition in excess argon at 5 K gave strong NUN and weak UN infrared absorptions and new bands at 3349.7, 966.9, 752.4, and 433.0 cm(-1) for the unusual new U(V) molecule N U=N-H, uranimine nitride, containing both triple and double bonds. This identification is based on D and N-15 isotopic substitution and comparison with frequencies computed by density functional theory for the (2)Delta ground state NUNH. Calculated bond lengths are compared to those of the E-1(g)+ ground state of U(VI) uranium dinitride N U N, the (2)Phi ground state of the isoelectronic nitride oxide N U=O, and the (3)A ground state of the U(IV) uranimine dihydride HN=UH2 molecule, which have all been prepared in solid argon matrices. Mulliken bond orders based on the CASSCF orbitals for N U=N-H are 2.91, 2.19, and 1.05, respectively. Here, the terminal nitride is effectively a triple bond, just as found for N U N. The solid argon matrix is a convenient medium to isolate reactive terminal uranium nitrides for examination of their spectroscopic properties.
Details
- Title: Subtitle
- Combined Triple and Double Bonds to Uranium: The N U=N-H Uranimine Nitride Molecule Prepared in Solid Argon
- Creators
- Xuefeng Wang - Tongji UniversityLester Andrews - University of VirginiaBess Vlaisavljevich - University of MinnesotaLaura Gagliardi - University of Minnesota
- Resource Type
- Journal article
- Publication Details
- Inorganic chemistry, Vol.50(8), pp.3826-3831
- Publisher
- Amer Chemical Soc
- DOI
- 10.1021/ic2003244
- PMID
- 21405096
- ISSN
- 0020-1669
- eISSN
- 1520-510X
- Number of pages
- 6
- Grant note
- CHE07-0004N / NCSA DE-SC0001034; DE-SC002183 / DOE; United States Department of Energy (DOE)
- Language
- English
- Date published
- 04/18/2011
- Academic Unit
- Chemistry
- Record Identifier
- 9984618647802771
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