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Species distribution and coordination of uranyl chloro complexes in acetonitrile

Christoph Hennig, Kelly Servaes, Peter Nockemann, Kristof Van Hecke UGent, Luc Van Meervelt, Johan Wouters, Linda Fluyt, Christiane Görller-Walrand and Rik Van Deun UGent (2008) INORGANIC CHEMISTRY. 47(8). p.2987-2993
abstract
The complex formation of the uranyl ion, UO22+, with chloride ions in acetonitrile has been investigated by factor analysis of UV-vis absorption and U L-3 edge EXAFS (extended X-ray absorption fine structure) spectra. As a function of increasing [Cl-]/[UO22+] ratio, the five monomeric species [UO2(H2O)(5)](2+), [UO2Cl(H2O)(2)(MeCN)(2)](+), [UO2Cl2(H2O)(MeCN)(2)], [UO2Cl3(MeCN)(2)](-), and [UO2Cl4](2-) have been observed. The distances determined in the first coordination sphere are: U-O-ax = 1.77 angstrom, U-O-H2O = 2.43 angstrom, U-N-MeCN = 2.53 angstrom, and U-Cl = 2.68 angstrom. A crystalline material has been obtained from the intermediate solution with the [Cl-]/[UO22+] ratio of similar to 2, where [UO2Cl2(H2O)(MeCN)(2)] is the dominating species. The crystal structure analysis of this material revealed a tetrameric complex, [(UO2)(4)(mu(2)-Cl)(4)(mu(3)-O)(2)(H2O)(2)(CH3CN)(4)]center dot(CH3CN). The crystal data are: monoclinic, space group P2(1)/n, a 10.6388(5) angstrom, b = 14.8441(5) angstrom, c = 10.8521(5) angstrom, beta = 109.164(5)degrees, and Z = 2. The U(VI) coordination of the solution species [UO2Cl2(H2O)(MeCN)(2)] changes during the crystallization by replacing one MeCN molecule with a bridging mu(3)-O atom in the tetramer.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
EXAFS, ION, AQUEOUS-SOLUTION, CRYSTAL-STRUCTURE, HYDROXIDE COMPLEXES, ELECTRONIC-STRUCTURE, ABSORPTION FINE-STRUCTURE, SPECTRA, SPECTROSCOPY, URANIUM(VI)
journal title
INORGANIC CHEMISTRY
Inorg. Chem.
volume
47
issue
8
pages
2987 - 2993
Web of Science type
Article
Web of Science id
000254902000019
JCR category
CHEMISTRY, INORGANIC & NUCLEAR
JCR impact factor
4.147 (2008)
JCR rank
4/43 (2008)
JCR quartile
1 (2008)
ISSN
0020-1669
DOI
10.1021/0014435
language
English
UGent publication?
no
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
1190071
handle
http://hdl.handle.net/1854/LU-1190071
date created
2011-03-16 16:13:27
date last changed
2018-01-29 12:12:59
@article{1190071,
  abstract     = {The complex formation of the uranyl ion, UO22+, with chloride ions in acetonitrile has been investigated by factor analysis of UV-vis absorption and U L-3 edge EXAFS (extended X-ray absorption fine structure) spectra. As a function of increasing [Cl-]/[UO22+] ratio, the five monomeric species [UO2(H2O)(5)](2+), [UO2Cl(H2O)(2)(MeCN)(2)](+), [UO2Cl2(H2O)(MeCN)(2)], [UO2Cl3(MeCN)(2)](-), and [UO2Cl4](2-) have been observed. The distances determined in the first coordination sphere are: U-O-ax = 1.77 angstrom, U-O-H2O = 2.43 angstrom, U-N-MeCN = 2.53 angstrom, and U-Cl = 2.68 angstrom. A crystalline material has been obtained from the intermediate solution with the [Cl-]/[UO22+] ratio of similar to 2, where [UO2Cl2(H2O)(MeCN)(2)] is the dominating species. The crystal structure analysis of this material revealed a tetrameric complex, [(UO2)(4)(mu(2)-Cl)(4)(mu(3)-O)(2)(H2O)(2)(CH3CN)(4)]center dot(CH3CN). The crystal data are: monoclinic, space group P2(1)/n, a 10.6388(5) angstrom, b = 14.8441(5) angstrom, c = 10.8521(5) angstrom, beta = 109.164(5)degrees, and Z = 2. The U(VI) coordination of the solution species [UO2Cl2(H2O)(MeCN)(2)] changes during the crystallization by replacing one MeCN molecule with a bridging mu(3)-O atom in the tetramer.},
  author       = {Hennig, Christoph and Servaes, Kelly and Nockemann, Peter and Van Hecke, Kristof and Van Meervelt, Luc and Wouters, Johan and Fluyt, Linda and G{\"o}rller-Walrand, Christiane and Van Deun, Rik},
  issn         = {0020-1669},
  journal      = {INORGANIC CHEMISTRY},
  keyword      = {EXAFS,ION,AQUEOUS-SOLUTION,CRYSTAL-STRUCTURE,HYDROXIDE COMPLEXES,ELECTRONIC-STRUCTURE,ABSORPTION FINE-STRUCTURE,SPECTRA,SPECTROSCOPY,URANIUM(VI)},
  language     = {eng},
  number       = {8},
  pages        = {2987--2993},
  title        = {Species distribution and coordination of uranyl chloro complexes in acetonitrile},
  url          = {http://dx.doi.org/10.1021/0014435},
  volume       = {47},
  year         = {2008},
}

Chicago
Hennig, Christoph, Kelly Servaes, Peter Nockemann, Kristof Van Hecke, Luc Van Meervelt, Johan Wouters, Linda Fluyt, Christiane Görller-Walrand, and Rik Van Deun. 2008. “Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile.” Inorganic Chemistry 47 (8): 2987–2993.
APA
Hennig, Christoph, Servaes, K., Nockemann, P., Van Hecke, K., Van Meervelt, L., Wouters, J., Fluyt, L., et al. (2008). Species distribution and coordination of uranyl chloro complexes in acetonitrile. INORGANIC CHEMISTRY, 47(8), 2987–2993.
Vancouver
1.
Hennig C, Servaes K, Nockemann P, Van Hecke K, Van Meervelt L, Wouters J, et al. Species distribution and coordination of uranyl chloro complexes in acetonitrile. INORGANIC CHEMISTRY. 2008;47(8):2987–93.
MLA
Hennig, Christoph, Kelly Servaes, Peter Nockemann, et al. “Species Distribution and Coordination of Uranyl Chloro Complexes in Acetonitrile.” INORGANIC CHEMISTRY 47.8 (2008): 2987–2993. Print.