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

Kohlgruber, Tsuyoshi A.; Perry, Samuel N.; Sigmon, Ginger E.; Oliver, Allen G.; Burns, Peter C.

doi:10.1016/j.jssc.2021.122871

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

Journal Article · 31 December 2021 · Journal of Solid State Chemistry

DOI: https://doi.org/10.1016/j.jssc.2021.122871 · OSTI ID:1977411

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^[2]; Sigmon, Ginger E. ^[2]; Oliver, Allen G. ^[2];

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University of Notre Dame, IN (United States); OSTI
University of Notre Dame, IN (United States)

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. Finally, 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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Research Organization:: University of Notre Dame, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-07ER15880

OSTI ID:: 1977411

Journal Information:: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: C Vol. 307; ISSN 0022-4596

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Bond valence
Hydrogen bonding
Single-crystal X-ray diffraction
Uranyl sulfate

CCDC 2114051: Experimental Crystal Structure Determination A., Kohlgruber, Tsuyoshi; N., Perry, Samuel; E., Sigmon, Ginger https://doi.org/10.5517/ccdc.csd.cc28yv69 The current record is supplemented by this dataset	dataset	January 2022
CCDC 2114052: Experimental Crystal Structure Determination A., Kohlgruber, Tsuyoshi; N., Perry, Samuel; E., Sigmon, Ginger https://doi.org/10.5517/ccdc.csd.cc28yv7b The current record is supplemented by this dataset	dataset	January 2022
CCDC 2114053: Experimental Crystal Structure Determination A., Kohlgruber, Tsuyoshi; N., Perry, Samuel; E., Sigmon, Ginger https://doi.org/10.5517/ccdc.csd.cc28yv8c The current record is supplemented by this dataset	dataset	January 2022
CCDC 2114054: Experimental Crystal Structure Determination A., Kohlgruber, Tsuyoshi; N., Perry, Samuel; E., Sigmon, Ginger https://doi.org/10.5517/ccdc.csd.cc28yv9d The current record is supplemented by this dataset	dataset	January 2022
CCDC 2114055: Experimental Crystal Structure Determination A., Kohlgruber, Tsuyoshi; N., Perry, Samuel; E., Sigmon, Ginger https://doi.org/10.5517/ccdc.csd.cc28yvbf The current record is supplemented by this dataset	dataset	January 2022
CCDC 2114056: Experimental Crystal Structure Determination A., Kohlgruber, Tsuyoshi; N., Perry, Samuel; E., Sigmon, Ginger https://doi.org/10.5517/ccdc.csd.cc28yvcg The current record is supplemented by this dataset	dataset	January 2022
CCDC 2114057: Experimental Crystal Structure Determination A., Kohlgruber, Tsuyoshi; N., Perry, Samuel; E., Sigmon, Ginger https://doi.org/10.5517/ccdc.csd.cc28yvdh The current record is supplemented by this dataset	dataset	January 2022

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

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