Charge-Assisted Hydrogen-Bonding and Crystallization Effects within UVI Glycine Compounds

de Groot, Joshua; Cassell, Brittany; Basile, Madeline; Fetrow, Taylor; Forbes, Tori Z.

doi:10.1002/ejic.201700024

Charge-Assisted Hydrogen-Bonding and Crystallization Effects within U^VI Glycine Compounds

Journal Article · Wed Mar 08 00:00:00 EST 2017 · European Journal of Inorganic Chemistry

DOI:https://doi.org/10.1002/ejic.201700024· OSTI ID:1668707

de Groot, Joshua ^[1]; Cassell, Brittany ^[2]; Basile, Madeline ^[2]; Fetrow, Taylor ^[2]; Forbes, Tori Z. ^[2]

Univ. of Iowa, Iowa City, IA (United States); University of Iowa
Univ. of Iowa, Iowa City, IA (United States)

UVI chemistry is dominated by the uranyl (UO₂)²⁺ cation, in which the oxo group is essentially passivated by a triple bond to the metal center. Weak interactions between the oxo group Lewis acids or hydrogen-bond donors can be observed in extended solids, but there is little understanding of how the uranyl bond is affected by these additional forces. In the current study, the influence of charge-assisted hydrogen-bonding and crystallization effects on the uranyl oxo bond is explored through the synthesis and characterization of four uranyl compounds: [(UO₂)₃(Gly)₂(O)₂(OH)₂](H₂O)_1.5 (UG1b), [(UO₂)₄(Gly)₃(For)(O)₃(OH)](H₂O)_6.5 (UGFA1a), [(UO₂)₈(Gly)₆(For)₂(O)₆(OH)₂](H₂O)₁₀ (UGFA1b), and [(UO₂)₄(Gly)₃(O)₃(OH)₂](HFor)(H₂O)_9.45 (UGFA2). Each of these compounds contains uranyl infinite chain topologies that are built upon trimeric or tetrameric repeating units and are linked through multiple hydrogen-bonding interactions to the uranyl oxo groups. The impact on the uranyl bond was explored through an examination of hydrogen-bonding donor–acceptor distances and the calculation of force constants obtained from Raman and IR spectral bands. The stretching force constants are lower with cooperative hydrogen bonds to the uranyl oxo groups. Finally, this suggests that these interactions are important and can combine with crystallization effects to impact the uranyl oxo bond.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Iowa, Iowa City, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

Grant/Contract Number:: SC0013980

OSTI ID:: 1668707

Alternate ID(s):: OSTI ID: 1400825
OSTI ID: 1533162

Journal Information:: European Journal of Inorganic Chemistry, Journal Name: European Journal of Inorganic Chemistry Journal Issue: 13 Vol. 2017; ISSN 1434-1948

Publisher:: ChemPubSoc EuropeCopyright Statement

Country of Publication:: United States

Language:: English

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Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms Carter, Korey P.; Kalaj, Mark; Surbella, Robert G. Chemistry - A European Journal, Vol. 23, Issue 61 https://doi.org/10.1002/chem.201702744	journal	August 2017
Isolating Equatorial and Oxo Based Influences on Uranyl Vibrational Spectroscopy in a Family of Hybrid Materials Featuring Halogen Bonding Interactions with Uranyl Oxo Atoms: Isolating Equatorial and Oxo Based Influences on Uranyl Vibrational Spectroscopy in a Family of Hybrid Materials Featuring Halogen Bonding Interaction Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L. European Journal of Inorganic Chemistry, Vol. 2017, Issue 40 https://doi.org/10.1002/ejic.201700788	journal	September 2017
Three Different Modes of Association between Metal Cations in Heterometallic Uranyl-Co ^III and Uranyl-Mn ^II Species: Three Different Modes of Association between Metal Cations in Heterometallic Uranyl-Co ^III and Uranyl-Mn ^II Species Thuéry, Pierre; Harrowfield, Jack European Journal of Inorganic Chemistry, Vol. 2018, Issue 40 https://doi.org/10.1002/ejic.201800873	journal	October 2018
Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties Xu, Wei; Ren, Ya-Nan; Xie, Miao Dalton Transactions, Vol. 47, Issue 12 https://doi.org/10.1039/c7dt04909a	journal	January 2018
Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew CrystEngComm, Vol. 20, Issue 34 https://doi.org/10.1039/c8ce00682b	journal	January 2018
Non-covalent interactions of uranyl complexes: a theoretical study Platts, James A.; Baker, Robert J. Physical Chemistry Chemical Physics, Vol. 20, Issue 22 https://doi.org/10.1039/c8cp02444h	journal	January 2018
Impacts of hydrogen bonding interactions with Np( v / vi )O ₂ Cl ₄ complexes: vibrational spectroscopy, redox behavior, and computational analysis Pyrch, Mikaela M.; Bjorklund, Jennifer L.; Williams, James M. Dalton Transactions, Vol. 49, Issue 20 https://doi.org/10.1039/d0dt00848f	journal	January 2020

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
glycine
hydrogen bonding
oxo activation
uranium

CCDC 1495278: Experimental Crystal Structure Determination De Groot, Joshua; Cassell, Brittany; Basile, Madeline https://doi.org/10.5517/ccdc.csd.cc1m5ysj The current record is supplemented by this dataset	dataset	January 2017
CCDC 1495279: Experimental Crystal Structure Determination De Groot, Joshua; Cassell, Brittany; Basile, Madeline https://doi.org/10.5517/ccdc.csd.cc1m5ytk The current record is supplemented by this dataset	dataset	January 2017
CCDC 1495280: Experimental Crystal Structure Determination De Groot, Joshua; Cassell, Brittany; Basile, Madeline https://doi.org/10.5517/ccdc.csd.cc1m5yvl The current record is supplemented by this dataset	dataset	January 2017
CCDC 1495281: Experimental Crystal Structure Determination De Groot, Joshua; Cassell, Brittany; Basile, Madeline https://doi.org/10.5517/ccdc.csd.cc1m5ywm The current record is supplemented by this dataset	dataset	January 2017