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Title: Poly[diammonium [diaqua(μ 7 -benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]

Abstract

Uranyl-carboxylate hybrid materials dominate the catalog of uranyl compounds owing in part to the affinity between COO -functional groups and UO 2 2+. Polycarboxylate organic ligands may present a degree of steric hindrance and could thus influence the resulting uranyl topology. Single crystals of the title compound, {(NH 4) 2[(UO 2) 2(C 12O 12)(H 2O) 2]} n, were synthesized hydrothermally as a result of reacting uranyl nitrate with benzene-1,2,3,4,5,6-hexacarboxylic acid (mellitic acid). The structure is comprised of a single unique monomeric uranyl cation adopting a pentagonal bipyramidal geometry. The uranyl coordination sphere is composed of four O atoms originating from one half of a fully deprotonated mellitic acid ligand and a single water molecule. The observed axial U—O bonds display an average distance of 1.765 (8) Å, whereas equatorial O atoms are found at an average distance of 2.40 (5) Å. All uranium–oxygen bond lengths are in good agreement with literature values. Furthermore, the coordination between the uranyl pentagonal bipyramids and the mellitic acid anion constructs a three-dimensional anionic framework which is charge-balanced with ammonium cations. Additional stabilization of the structure is provided by O—H...O and N—H...O hydrogen bonding interactions between the components.

Authors:
;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Materials Science of Actinides (MSA)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1385699
DOE Contract Number:
SC0001089
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Crystallographica. Section E; Journal Volume: 70; Journal Issue: 4; Related Information: MSA partners with University of Notre Dame (lead); University of California, Davis; Florida State University; George Washington University; University of Michigan; University of Minnesota; Oak Ridge National Laboratory; Oregon state University; Rensselaer Polytechnic Institute; Savannah River National Laboratory
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; nuclear (including radiation effects), materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Cantos, Paula M., and Cahill, Christopher L. Poly[diammonium [diaqua(μ 7 -benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]. United States: N. p., 2014. Web. doi:10.1107/S1600536814006047.
Cantos, Paula M., & Cahill, Christopher L. Poly[diammonium [diaqua(μ 7 -benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]. United States. doi:10.1107/S1600536814006047.
Cantos, Paula M., and Cahill, Christopher L. 2014. "Poly[diammonium [diaqua(μ 7 -benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]". United States. doi:10.1107/S1600536814006047.
@article{osti_1385699,
title = {Poly[diammonium [diaqua(μ 7 -benzene-1,2,3,4,5,6-hexacarboxylato)tetraoxidodiuranium(VI)]]},
author = {Cantos, Paula M. and Cahill, Christopher L.},
abstractNote = {Uranyl-carboxylate hybrid materials dominate the catalog of uranyl compounds owing in part to the affinity between COO-functional groups and UO22+. Polycarboxylate organic ligands may present a degree of steric hindrance and could thus influence the resulting uranyl topology. Single crystals of the title compound, {(NH4)2[(UO2)2(C12O12)(H2O)2]}n, were synthesized hydrothermally as a result of reacting uranyl nitrate with benzene-1,2,3,4,5,6-hexacarboxylic acid (mellitic acid). The structure is comprised of a single unique monomeric uranyl cation adopting a pentagonal bipyramidal geometry. The uranyl coordination sphere is composed of four O atoms originating from one half of a fully deprotonated mellitic acid ligand and a single water molecule. The observed axial U—O bonds display an average distance of 1.765 (8) Å, whereas equatorial O atoms are found at an average distance of 2.40 (5) Å. All uranium–oxygen bond lengths are in good agreement with literature values. Furthermore, the coordination between the uranyl pentagonal bipyramids and the mellitic acid anion constructs a three-dimensional anionic framework which is charge-balanced with ammonium cations. Additional stabilization of the structure is provided by O—H...O and N—H...O hydrogen bonding interactions between the components.},
doi = {10.1107/S1600536814006047},
journal = {Acta Crystallographica. Section E},
number = 4,
volume = 70,
place = {United States},
year = 2014,
month = 3
}
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