4.6 Article

Hydrogen bond network and bond valence analysis on uranyl sulfate compounds with organic-based interstitial cations

Journal

JOURNAL OF SOLID STATE CHEMISTRY
Volume 307, Issue -, Pages -

Publisher

ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jssc.2021.122871

Keywords

Uranyl sulfate; Hydrogen bonding; Bond valence; Single-crystal X-ray diffraction

Funding

  1. Department of Energy, Basic Energy Sciences, Heavy Elements Program [DE-FG02-07ER15880]
  2. U.S. Department of Energy (DOE) [DE-FG02-07ER15880] Funding Source: U.S. Department of Energy (DOE)

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Seven new uranyl sulfate compounds with organic charge-balancing cations have been synthesized and analyzed. Comparisons and analyses were done on 54 known uranyl sulfate compounds with organic charge-balancing cations, including the seven newly synthesized compounds. The study helps understand how the organic cations stabilize the crystal structures of these materials.
Seven new uranyl sulfate compounds with organic charge-balancing cations have been synthesized and structurally characterized. The structural unit topologies of the two chains and five sheets have been previously reported in uranyl sulfate crystal chemistry, although they were synthesized using different organic molecules. With the inclusion of six of these structures to the 48 previously published uranyl sulfate compounds, a total of 54 known uranyl sulfate compounds with organic charge-balancing cations were compiled and analyzed. A graphical approach was used to compare the structural unit topologies, and a bond valence approach was used to quantify the hydrogen bond networks that exist between the interstitial cationic and solvent species to the uranyl sulfate anionic structural units. This analysis helped elucidate which oxygen atoms in the structural unit receive hydrogen bonds and how the organic cations stabilize the overall crystal structures in this subclass of U(VI) materials.

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