Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding

Surbella, Robert G.; Ducati, Lucas C.; Autschbach, Jochen; Pellegrini, Kristi L.; McNamara, Bruce K.; Schwantes, Jon M.; Cahill, Christopher L.

doi:10.1039/C8CC05578E

Title: Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding

Journal Article · 22 October 2018 · ChemComm

DOI: https://doi.org/10.1039/C8CC05578E · OSTI ID:1476678

^[1];

^[2];

^[3]; Pellegrini, Kristi L. ^[1]; McNamara, Bruce K. ^[1]; Schwantes, Jon M. ^[1];

^[4]

Pacific Northwest National Laboratory, Richland, USA
Department of Fundamental Chemistry Institute of Chemistry, University of São Paulo, São Paulo, Brazil
Department of Chemistry, University at Buffalo, State University of New York, Buffalo, USA
Department of Chemistry, The George Washington University, Washington, USA

Four novel Pu( iv ) nitrato chloro complexes were crystallographically characterized and the Pu–ligand bond nature was delineated computationally.

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

Grant/Contract Number:: FG02-05ER15736; SC0001136

OSTI ID:: 1476678

Journal Information:: ChemComm, Journal Name: ChemComm Journal Issue: 85 Vol. 54; ISSN CHCOFS; ISSN 1359-7345

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

References (22)

Coordination Chemistry of Homoleptic Actinide(IV)-Thiocyanate Complexes Carter, Tyler J.; Wilson, Richard E. Chemistry - A European Journal, Vol. 21, Issue 44 https://doi.org/10.1002/chem.201502770	journal	September 2015
Transuranic Computational Chemistry Kaltsoyannis, Nikolas Chemistry - A European Journal, Vol. 24, Issue 12 https://doi.org/10.1002/chem.201704445	journal	November 2017
Crystallization of Uranyl Salts from Dialkylimidazolium Ionic Liquids or Their Precursors Cocalia, Violina; Smiglak, Marcin; Kelley, Steven P. European Journal of Inorganic Chemistry, Vol. 2010, Issue 18 https://doi.org/10.1002/ejic.201000162	journal	May 2010
Plutonium Clark, David L.; Hecker, Siegfried S.; Jarvinen, Gordon D. The Chemistry of the Actinide and Transactinide Elements https://doi.org/10.1007/1-4020-3598-5_7	book	January 2007
Absorption spectroscopic properties for Pu(III, IV and VI) in nitric and hydrochloric acid media Lee, M. H.; Park, Y. J.; Kim, W. H. Journal of Radioanalytical and Nuclear Chemistry, Vol. 273, Issue 2 https://doi.org/10.1007/s10967-007-6848-1	journal	July 2007
Aqueous coordination complexes of plutonium Cleveland, J. M. Coordination Chemistry Reviews, Vol. 5, Issue 1 https://doi.org/10.1016/S0010-8545(00)80076-4	journal	April 1970
Covalency in f-element complexes Neidig, Michael L.; Clark, David L.; Martin, Richard L. Coordination Chemistry Reviews, Vol. 257, Issue 2 https://doi.org/10.1016/j.ccr.2012.04.029	journal	January 2013
Topological Study of Bonding in Aquo and Bis(triazinyl)pyridine Complexes of Trivalent Lanthanides and Actinides: Does Covalency Imply Stability? Fryer-Kanssen, Izaak; Austin, Jonathan; Kerridge, Andrew Inorganic Chemistry, Vol. 55, Issue 20 https://doi.org/10.1021/acs.inorgchem.6b00968	journal	August 2016
Synthetic Utility of Tetrabutylammonium Salts in Uranium Metallocene Chemistry Webster, Christopher L.; Langeslay, Ryan R.; Ziller, Joseph W. Organometallics, Vol. 35, Issue 4 https://doi.org/10.1021/acs.organomet.5b00942	journal	February 2016
Rational Design of Sequestering Agents for Plutonium and Other Actinides Gorden, Anne E. V.; Xu, Jide; Raymond, Kenneth N. Chemical Reviews, Vol. 103, Issue 11 https://doi.org/10.1021/cr990114x	journal	November 2003
Competitive Complexation of Nitrates and Chlorides to Uranyl in a Room Temperature Ionic Liquid Gaillard, C.; Chaumont, A.; Billard, I. Inorganic Chemistry, Vol. 49, Issue 14 https://doi.org/10.1021/ic100170t	journal	July 2010
Plutonium Transport in the Environment Kersting, Annie B. Inorganic Chemistry, Vol. 52, Issue 7 https://doi.org/10.1021/ic3018908	journal	June 2012
Covalency Trends in Group IV Metallocene Dichlorides. Chlorine K-Edge X-Ray Absorption Spectroscopy and Time Dependent-Density Functional Theory Kozimor, Stosh A.; Yang, Ping; Batista, Enrique R. Inorganic Chemistry, Vol. 47, Issue 12 https://doi.org/10.1021/ic8004932	journal	June 2008
Comparison of Covalency in the Complexes of Trivalent Actinide and Lanthanide Cations Jensen, Mark P.; Bond, Andrew H. Journal of the American Chemical Society, Vol. 124, Issue 33 https://doi.org/10.1021/ja0178620	journal	August 2002
On the Origin of Covalent Bonding in Heavy Actinides Kelley, Morgan P.; Su, Jing; Urban, Matthew Journal of the American Chemical Society, Vol. 139, Issue 29 https://doi.org/10.1021/jacs.7b03251	journal	July 2017
Covalency in Americium(III) Hexachloride Cross, Justin N.; Su, Jing; Batista, Enrique R. Journal of the American Chemical Society, Vol. 139, Issue 25 https://doi.org/10.1021/jacs.7b03755	journal	June 2017
Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly Surbella, Robert G.; Ducati, Lucas C.; Pellegrini, Kristi L. Journal of the American Chemical Society, Vol. 139, Issue 31 https://doi.org/10.1021/jacs.7b05689	journal	July 2017
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
Characterization of the binding of six actinyls AnO ₂ ^2+/+ (An = U/Np/Pu) with three expanded porphyrins by density functional theory Yang, Meixiu; Ding, Wanjian; Wang, Dongqi New Journal of Chemistry, Vol. 41, Issue 1 https://doi.org/10.1039/C6NJ01615D	journal	January 2017
Do QTAIM metrics correlate with the strength of heavy element–ligand bonds? Mountain, Abigail R. E.; Kaltsoyannis, Nikolas Dalton Transactions, Vol. 42, Issue 37 https://doi.org/10.1039/c3dt51337h	journal	January 2013
Eight and Nine-Coordinate Plutonium (IV) Complexes of the f-Element Extractant 2,5-Bis(diphenylphosphinomethyl)benzene P,P'-dioxide Including Structural Characterization of a Plutonium (IV) Alkoxide Matonic, John H.; Enriquez, Alejandro E.; Scott, Brian L. Journal of Nuclear Science and Technology, Vol. 39, Issue sup3 https://doi.org/10.1080/00223131.2002.10875492	journal	November 2002
Chemical Disposition of Plutonium in Hanford Site Tank Wastes Delegard, Calvin H.; Jones, Susan A. https://doi.org/10.2172/1233488	report	May 2015

Similar Records

Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding

Journal Article · 2017 · ChemComm · OSTI ID:1489338

Surbella, Robert G.; Ducati, Lucas C.; Autschbach, Jochen; +4 more

Americium Oxalate: An Experimental and Computational Investigation of Metal–Ligand Bonding

Journal Article · 2023 · Inorganic Chemistry · OSTI ID:1968457

Arteaga, Ana L.; Nicholas, Aaron D.; Ducati, Lucas C.; +2 more

Schiff-base coordination complexes with plutonium( iv ) and cerium( iv )

Journal Article · 2017 · ChemComm · OSTI ID:1539983

Klamm, Bonnie E.; Windorff, Cory J.; Marsh, Matthew L.; +2 more

Title: Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding

Citation Formats

References (22)

Similar Records

Related Subjects