Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms

Carter, Korey P.; Kalaj, Mark; Surbella, Robert G.; Ducati, Lucas C.; Autschbach, Jochen; Cahill, Christopher L.

doi:10.1002/chem.201702744

Title: Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms

Journal Article · Tue Aug 15 00:00:00 EDT 2017 · Chemistry - A European Journal

DOI:https://doi.org/10.1002/chem.201702744· OSTI ID:1537518

^[1]; Kalaj, Mark ^[1]; Surbella, Robert G. ^[1]; Ducati, Lucas C. ^[2]; Autschbach, Jochen ^[3];

^[1]

Department of Chemistry, The George Washington University, 800 22nd Street, NW Washington DC 20052 USA
Department of Fundamental Chemistry, Institute of Chemistry, University of São Paulo, P.O. Box 26077 São Paulo SP 05513-970 Brazil
Department of Chemistry, University at Buffalo, State University of New York, Buffalo NY 14260 USA

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Research Organization:: George Washington Univ., Washington, DC (United States); State Univ. of New York (SUNY), Albany, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FG02-05ER15736; SC0001136

OSTI ID:: 1537518

Journal Information:: Chemistry - A European Journal, Vol. 23, Issue 61; ISSN 0947-6539

Publisher:: ChemPubSoc Europe

Country of Publication:: United States

Language:: English

References (47)

New Reactivity of the Uranyl(VI) Ion Baker, Robert J. Chemistry - A European Journal, Vol. 18, Issue 51 https://doi.org/10.1002/chem.201203085	journal	November 2012
Uranyl Bearing Hybrid Materials: Synthesis, Speciation, and Solid-State Structures Andrews, Michael B.; Cahill, Christopher L. Chemical Reviews, Vol. 113, Issue 2 https://doi.org/10.1021/cr300202a	journal	August 2012
Supramolecular Interactions in PuO ₂ Cl ₄ ^2– and PuCl ₆ ^2– Complexes with Protonated Pyridines: Synthesis, Crystal Structures, and Raman Spectroscopy Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B. Inorganic Chemistry, Vol. 53, Issue 1 https://doi.org/10.1021/ic4023294	journal	December 2013
Supramolecular Hierarchy among Halogen-Bond Donors Aakeröy, Christer B.; Baldrighi, Michele; Desper, John Chemistry - A European Journal, Vol. 19, Issue 48 https://doi.org/10.1002/chem.201302162	journal	October 2013
Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K. Crystal Growth & Design, Vol. 14, Issue 3 https://doi.org/10.1021/cg401849r	journal	January 2014
A Structural and Spectroscopic Study of the First Uranyl Selenocyanate, [Et4N]3[UO2(NCSe)5] Nuzzo, Stefano; Browne, Michelle; Twamley, Brendan Inorganics, Vol. 4, Issue 1 https://doi.org/10.3390/inorganics4010004	journal	February 2016
Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO ₂ –3-bromo-5-iodobenzoic acid coordination polymer Kalaj, Mark; Carter, Korey P.; Cahill, Christopher L. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 73, Issue 2 https://doi.org/10.1107/S2052520617001639	journal	March 2017
Charge-Assisted Hydrogen-Bonding and Crystallization Effects within U ^VI Glycine Compounds : Charge-Assisted Hydrogen-Bonding and Crystallization Effects within U de Groot, Joshua; Cassell, Brittany; Basile, Madeline European Journal of Inorganic Chemistry, Vol. 2017, Issue 13 https://doi.org/10.1002/ejic.201700024	journal	April 2017
The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials Deifel, Nicholas P.; Cahill, Christopher L. CrystEngComm, Vol. 11, Issue 12 https://doi.org/10.1039/b911470j	journal	January 2009
Supramolecular chemistry with uranyl tetrahalide ([UO2X4]2−) anions Deifel, Nicholas P.; Cahill, Christopher L. Comptes Rendus Chimie, Vol. 13, Issue 6-7 https://doi.org/10.1016/j.crci.2010.01.009	journal	June 2010
Utilizing hydrogen bonds and halogen–halogen interactions in the design of uranyl hybrid materials Andrews, Michael B.; Cahill, Christopher L. Dalton Trans., Vol. 41, Issue 14 https://doi.org/10.1039/C2DT11985D	journal	January 2012
Metal–organic hybrids involving the [UO ₂ Cl ₃ (NO ₃ )] ²⁻ tecton and the role of halogen polarizability Andrews, Michael B.; Cahill, Christopher L. CrystEngComm, Vol. 15, Issue 16 https://doi.org/10.1039/C2CE26561C	journal	January 2013
The exploration of supramolecular interactions stemming from the [UO ₂ (NCS) ₄ (H ₂ O)] ²⁻ tecton and substituted pyridinium cations Surbella III, Robert G.; Cahill, Christopher L. CrystEngComm, Vol. 16, Issue 12 https://doi.org/10.1039/C3CE42106F	journal	January 2014
Self-assembly of [UO2X4]2− (X=Cl, Br) dianions with γ substituted pyridinium cations: Structural systematics and fluorescence properties Surbella, Robert G.; Andrews, Michael B.; Cahill, Christopher L. Journal of Solid State Chemistry, Vol. 236 https://doi.org/10.1016/j.jssc.2015.09.011	journal	April 2016
Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers Thangavelu, Sonia G.; Andrews, Michael B.; Pope, Simon J. A. Inorganic Chemistry, Vol. 52, Issue 4 https://doi.org/10.1021/ic3024698	journal	January 2013
Combining coordination and supramolecular chemistry to explore uranyl assembly in the solid state Carter, Korey P.; Cahill, Christopher L. Inorganic Chemistry Frontiers, Vol. 2, Issue 2 https://doi.org/10.1039/C4QI00183D	journal	January 2015
Probing the Influence of N-Donor Capping Ligands on Supramolecular Assembly in Molecular Uranyl Materials Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L. European Journal of Inorganic Chemistry, Vol. 2016, Issue 1 https://doi.org/10.1002/ejic.201501118	journal	December 2015
Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands Carter, Korey P.; Kalaj, Mark; Cahill, Christopher L. Inorganic Chemistry Frontiers, Vol. 4, Issue 1 https://doi.org/10.1039/C6QI00352D	journal	January 2017
Extending the Chemistry of the Uranyl Ion: Lewis Acid Coordination to a UO Oxygen Sarsfield, Mark J.; Helliwell, Madeleine Journal of the American Chemical Society, Vol. 126, Issue 4 https://doi.org/10.1021/ja039101y	journal	February 2004
Oxo ligand functionalization in the uranyl ion (UO22+) Fortier, Skye; Hayton, Trevor W. Coordination Chemistry Reviews, Vol. 254, Issue 3-4 https://doi.org/10.1016/j.ccr.2009.06.003	journal	February 2010
Uranyl oxo activation and functionalization by metal cation coordination Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina Nature Chemistry, Vol. 2, Issue 12 https://doi.org/10.1038/nchem.904	journal	November 2010
Control of Oxo-Group Functionalization and Reduction of the Uranyl Ion Arnold, Polly L.; Pécharman, Anne-Frédérique; Lord, Rianne M. Inorganic Chemistry, Vol. 54, Issue 7 https://doi.org/10.1021/acs.inorgchem.5b00420	journal	March 2015
Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands Bell, Nicola L.; Arnold, Polly L.; Love, Jason B. Dalton Transactions, Vol. 45, Issue 40 https://doi.org/10.1039/C6DT01948J	journal	January 2016
Finding the Perfect Match: Halogen vs Hydrogen Bonding Shirman, Tanya; Boterashvili, Meital; Orbach, Meital Crystal Growth & Design, Vol. 15, Issue 10 https://doi.org/10.1021/acs.cgd.5b01260	journal	August 2015
The nature of halogen.cntdot..cntdot..cntdot.halogen interactions: are short halogen contacts due to specific attractive forces or due to close packing of nonspherical atoms? Desiraju, Gautam R.; Parthasarathy, R. Journal of the American Chemical Society, Vol. 111, Issue 23 https://doi.org/10.1021/ja00205a027	journal	November 1989
Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different Mukherjee, Arijit; Tothadi, Srinu; Desiraju, Gautam R. Accounts of Chemical Research, Vol. 47, Issue 8 https://doi.org/10.1021/ar5001555	journal	May 2014
Actinide structural studies. 15. Two 1,10-phenanthroline complexes of uranium(VI) Alcock, N. W.; Flanders, D. J.; Pennington, M. Acta Crystallographica Section C Crystal Structure Communications, Vol. 44, Issue 2 https://doi.org/10.1107/S010827018701103X	journal	February 1988
Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L. CrystEngComm, Vol. 16, Issue 44 https://doi.org/10.1039/C4CE01806K	journal	January 2014
The Halogen Bond Cavallo, Gabriella; Metrangolo, Pierangelo; Milani, Roberto Chemical Reviews, Vol. 116, Issue 4 https://doi.org/10.1021/acs.chemrev.5b00484	journal	January 2016
Halogen Bonding in Supramolecular Chemistry Gilday, Lydia C.; Robinson, Sean W.; Barendt, Timothy A. Chemical Reviews, Vol. 115, Issue 15 https://doi.org/10.1021/cr500674c	journal	July 2015
Infrared and Raman Spectra of Polyatomic Molecules. Herzberg, Gerhard; Crawford, Bryce L. The Journal of Physical Chemistry, Vol. 50, Issue 3 https://doi.org/10.1021/j150447a021	journal	March 1946
Infrared Spectra and Structure of Uranyl and Transuranium ( V ) and ( VI ) Ions in Aqueous Perchloric Acid Solution Jones, Llewellyn H.; Penneman, Robert A. The Journal of Chemical Physics, Vol. 21, Issue 3 https://doi.org/10.1063/1.1698941	journal	March 1953
Structural and Vibrational Properties of U(VI)O ₂ Cl ₄ ^2- and Pu(VI)O ₂ Cl ₄ ^2- Complexes Schnaars, David D.; Wilson, Richard E. Inorganic Chemistry, Vol. 52, Issue 24 https://doi.org/10.1021/ic401991n	journal	November 2013
Lattice Solvent and Crystal Phase Effects on the Vibrational Spectra of UO ₂ Cl ₄ ^2– Schnaars, David D.; Wilson, Richard E. Inorganic Chemistry, Vol. 53, Issue 20 https://doi.org/10.1021/ic501553m	journal	September 2014
Electronic Structure and Bonding in Actinyl Ions and their Analogs Denning, Robert G. The Journal of Physical Chemistry A, Vol. 111, Issue 20 https://doi.org/10.1021/jp071061n	journal	May 2007
Developments in the photophysics and photochemistry of actinide ions and their coordination compounds Natrajan, Louise S. Coordination Chemistry Reviews, Vol. 256, Issue 15-16 https://doi.org/10.1016/j.ccr.2012.03.029	journal	August 2012
Charge Transfer Vibronic Transitions in Uranyl Tetrachloride Compounds Liu, Guokui; Deifel, Nicholas P.; Cahill, Christopher L. The Journal of Physical Chemistry A, Vol. 116, Issue 2 https://doi.org/10.1021/jp210046j	journal	January 2012
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M. Journal of Applied Crystallography, Vol. 48, Issue 1 https://doi.org/10.1107/S1600576714022985	journal	January 2015
Crystal structure refinement with SHELXL Sheldrick, George M. Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8 https://doi.org/10.1107/S2053229614024218	journal	January 2015
WinGX and ORTEP for Windows : an update Farrugia, Louis J. Journal of Applied Crystallography, Vol. 45, Issue 4 https://doi.org/10.1107/S0021889812029111	journal	July 2012
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals Zhao, Yan; Truhlar, Donald G. Theoretical Chemistry Accounts, Vol. 120, Issue 1-3 https://doi.org/10.1007/s00214-007-0310-x	journal	July 2007
Energy‐adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide Küchle, W.; Dolg, M.; Stoll, H. The Journal of Chemical Physics, Vol. 100, Issue 10 https://doi.org/10.1063/1.466847	journal	May 1994
Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials Cao, Xiaoyan; Dolg, Michael; Stoll, Hermann The Journal of Chemical Physics, Vol. 118, Issue 2 https://doi.org/10.1063/1.1521431	journal	January 2003
Segmented contraction scheme for small-core actinide pseudopotential basis sets Cao, Xiaoyan; Dolg, Michael Journal of Molecular Structure: THEOCHEM, Vol. 673, Issue 1-3 https://doi.org/10.1016/j.theochem.2003.12.015	journal	March 2004
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Weigend, Florian; Ahlrichs, Reinhart Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305 https://doi.org/10.1039/b508541a	journal	January 2005
Properties of atoms in molecules: atomic volumes Bader, Richard F. W.; Carroll, Marshall T.; Cheeseman, James R. Journal of the American Chemical Society, Vol. 109, Issue 26 https://doi.org/10.1021/ja00260a006	journal	December 1987
An overview of halogen bonding Politzer, Peter; Lane, Pat; Concha, Monica C. Journal of Molecular Modeling, Vol. 13, Issue 2 https://doi.org/10.1007/s00894-006-0154-7	journal	September 2006

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