A new Pu(iii) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5 ]·2Cl·2H2O as obtained via supramolecular assembly in aqueous, high chloride media

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

doi:10.1039/c7cc05988d

Title: A new Pu(iii) coordination geometry in (C₅H₅NBr)₂[PuCl₃(H₂O)₅ ]·2Cl·2H₂O as obtained via supramolecular assembly in aqueous, high chloride media

Abstract

Here, a novel hydrated Pu(iii) chloride, (C₅H₅NBr)₂[PuCl₃(H₂O)₅]·Cl·2H₂O, is prepared from aqueous media and the non-covalent interaction pairings are rationalized using electrostatic potentials.

Authors:

^[1];

^[2]; Pellegrini, Kristi L. ^[3]; McNamara, Bruce K. ^[3];

^[4]; Schwantes, Jon M. ^[2];

^[1]

George Washington Univ., Washington, DC (United States)
Univ. of São Paulo (Brazil)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Univ. at Buffalo, State Univ. of New York, Buffalo, NY (United States)

Publication Date:: Tue Sep 12 00:00:00 EDT 2017

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1406758

Report Number(s):: PNNL-SA-128010
Journal ID: ISSN 1359-7345; CHCOFS; 45304036L

Grant/Contract Number:: AC05-76RL01830

Resource Type:: Accepted Manuscript

Journal Name:: ChemComm

Additional Journal Information:: Journal Volume: 53; Journal Issue: 78; Journal ID: ISSN 1359-7345

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Surbella, III, Robert G., Ducati, Lucas C., Pellegrini, Kristi L., McNamara, Bruce K., Autschbach, Jochen, Schwantes, Jon M., and Cahill, Christopher L. A new Pu(iii) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5 ]·2Cl·2H2O as obtained via supramolecular assembly in aqueous, high chloride media.  United States: N. p., 2017. 
Web.  doi:10.1039/c7cc05988d.

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                    Surbella, III, Robert G., Ducati, Lucas C., Pellegrini, Kristi L., McNamara, Bruce K., Autschbach, Jochen, Schwantes, Jon M., & Cahill, Christopher L. A new Pu(iii) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5 ]·2Cl·2H2O as obtained via supramolecular assembly in aqueous, high chloride media.  United States.  https://doi.org/10.1039/c7cc05988d

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                    Surbella, III, Robert G., Ducati, Lucas C., Pellegrini, Kristi L., McNamara, Bruce K., Autschbach, Jochen, Schwantes, Jon M., and Cahill, Christopher L. Tue .  
"A new Pu(iii) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5 ]·2Cl·2H2O as obtained via supramolecular assembly in aqueous, high chloride media".  United States.  https://doi.org/10.1039/c7cc05988d.  https://www.osti.gov/servlets/purl/1406758.

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@article{osti_1406758,

  title        = {A new Pu(iii) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5 ]·2Cl·2H2O as obtained via supramolecular assembly in aqueous, high chloride media},

  author       = {Surbella, III, Robert G. and Ducati, Lucas C. and Pellegrini, Kristi L. and McNamara, Bruce K. and Autschbach, Jochen and Schwantes, Jon M. and Cahill, Christopher L.},

  abstractNote = {Here, a novel hydrated Pu(iii) chloride, (C5H5NBr)2[PuCl3(H2O)5]·Cl·2H2O, is prepared from aqueous media and the non-covalent interaction pairings are rationalized using electrostatic potentials.},

  doi          = {10.1039/c7cc05988d},

  journal      = {ChemComm},

  number       = 78,

  volume       = 53,

  place        = {United States},

  year         = {Tue Sep 12 00:00:00 EDT 2017},

  month        = {Tue Sep 12 00:00:00 EDT 2017}

}

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https://doi.org/10.1039/c7cc05988d

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Cited by: 6 works

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Figures / Tables:

Fig. 2: Top: Double chains of [PuCl₃(H₂O)₅] tectons (circled) form a layer in (0–10). Bottom: Hydrogen bonds link the [PuCl₃(H₂O)₅] tectons into chains along [100]. The chloride anions and 4-BrPyH cations are omitted for clarity.

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Works referenced in this record:

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Title: A new Pu(iii) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5 ]·2Cl·2H2O as obtained via supramolecular assembly in aqueous, high chloride media

Abstract

Citation Formats

Figures / Tables:

Self-assembly of [UO2X4]2− (X=Cl, Br) dianions with γ substituted pyridinium cations: Structural systematics and fluorescence properties journal, April 2016

The Halogen Bond journal, January 2016

Fundamental Investigations of Separations Science for Radioactive Materials journal, July 2000

Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly journal, July 2017

The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution journal, October 2006

The exploration of supramolecular interactions stemming from the [UO 2 (NCS) 4 (H 2 O)] 2− tecton and substituted pyridinium cations journal, January 2014

Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes journal, January 2013

Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand journal, January 2013

Redox speciation of plutonium journal, May 1997

Differentiating between Trivalent Lanthanides and Actinides journal, June 2012

Covalency in f-element complexes journal, January 2013

New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design journal, May 2002

Incipient class II mixed valency in a plutonium solid-state compound journal, May 2017

Recent developments in nonaqueous plutonium coordination chemistry journal, June 2010

An overview and historical look back at the solvent extraction using nitrogen donor ligands to extract and separate An(III) from Ln(III) journal, January 2008

Investigation of Aquo and Chloro Complexes of UO 2 2+ , NpO 2 + , Np 4+ , and Pu 3+ by X-ray Absorption Fine Structure Spectroscopy journal, October 1997

The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials journal, January 2009

Environmental Speciation of Actinides journal, June 2012

Coordination Chemistry of Trivalent Lanthanide and Actinide Ions in Dilute and Concentrated Chloride Solutions journal, February 2000

Preparation and crystal structures of plutonium(III) pentachloro complexes, K2PuCl5 and Rb2PuCl5 journal, February 1988

Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds journal, December 2011

Synthesis and structural characterization of a molecular plutonium(iv) compound constructed from dimeric building blocks journal, January 2007

Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms journal, August 2017

Ammoniates of plutonium(III) and (IV) halides journal, January 1972

Structural Periodicity in Plutonium(IV) Sulfates journal, June 2011

Crystallographic studies of some transuranic trihalides: 239PuCl3, 244CmBr3, 249BkBr3 and 249CfBr3 journal, March 1975

Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids journal, January 2008

Low-Valent Molecular Plutonium Halide Complexes journal, September 2008

Actinide speciation in the environment journal, June 2007

Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands journal, January 2017

High-Yield Synthesis and Single-Crystal X-ray Structure of a Plutonium(III) Aquo Complex: [Pu(H 2 O) 9 ][CF 3 SO 3 ] 3 journal, June 2001

Encoding and decoding hydrogen-bond patterns of organic compounds journal, April 1990

Structural Characterization of Pu[N(SiMe 3 ) 2 ] 3 , a Synthetically Useful Nonaqueous Plutonium(III) Precursor journal, January 2008

Utilizing hydrogen bonds and halogen–halogen interactions in the design of uranyl hybrid materials journal, January 2012

Heterogeneous Reduction of PuO 2 with Fe(II): Importance of the Fe(III) Reaction Product journal, May 2011

Probing the Influence of N-Donor Capping Ligands on Supramolecular Assembly in Molecular Uranyl Materials journal, December 2015

Structural Systematics of Rare Earth Complexes. XXII 4-Methylpyridinium Salts of Diverse Complex Aqua/Chloro/Lanthanoid(III) Species journal, November 2006

Actinide speciation in the environment journal, January 2003

The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution. journal, January 2007

Synthesis and Structural Characterization of a Molecular Plutonium(IV) Compound Constructed from Dimeric Building Blocks. journal, July 2007

Title: A new Pu(iii) coordination geometry in (C₅H₅NBr)₂[PuCl₃(H₂O)₅ ]·2Cl·2H₂O as obtained via supramolecular assembly in aqueous, high chloride media

Self-assembly of [UO2X4]2− (X=Cl, Br) dianions with γ substituted pyridinium cations: Structural systematics and fluorescence properties
journal, April 2016

The Halogen Bond
journal, January 2016

Fundamental Investigations of Separations Science for Radioactive Materials
journal, July 2000

Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly
journal, July 2017

The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution
journal, October 2006

The exploration of supramolecular interactions stemming from the [UO ₂ (NCS) ₄ (H ₂ O)] ²⁻ tecton and substituted pyridinium cations
journal, January 2014

Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
journal, January 2013

Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand
journal, January 2013

Redox speciation of plutonium
journal, May 1997

Differentiating between Trivalent Lanthanides and Actinides
journal, June 2012

Covalency in f-element complexes
journal, January 2013

New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
journal, May 2002

Incipient class II mixed valency in a plutonium solid-state compound
journal, May 2017

Recent developments in nonaqueous plutonium coordination chemistry
journal, June 2010

An overview and historical look back at the solvent extraction using nitrogen donor ligands to extract and separate An(III) from Ln(III)
journal, January 2008

Investigation of Aquo and Chloro Complexes of UO ₂ ²⁺ , NpO ₂ ⁺ , Np ⁴⁺ , and Pu ³⁺ by X-ray Absorption Fine Structure Spectroscopy
journal, October 1997

The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials
journal, January 2009

Environmental Speciation of Actinides
journal, June 2012

Coordination Chemistry of Trivalent Lanthanide and Actinide Ions in Dilute and Concentrated Chloride Solutions
journal, February 2000

Preparation and crystal structures of plutonium(III) pentachloro complexes, K2PuCl5 and Rb2PuCl5
journal, February 1988

Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds
journal, December 2011

Synthesis and structural characterization of a molecular plutonium(iv) compound constructed from dimeric building blocks
journal, January 2007

Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms
journal, August 2017

Ammoniates of plutonium(III) and (IV) halides
journal, January 1972

Structural Periodicity in Plutonium(IV) Sulfates
journal, June 2011

Crystallographic studies of some transuranic trihalides: 239PuCl3, 244CmBr3, 249BkBr3 and 249CfBr3
journal, March 1975

Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids
journal, January 2008

Low-Valent Molecular Plutonium Halide Complexes
journal, September 2008

Actinide speciation in the environment
journal, June 2007

Harnessing uranyl oxo atoms via halogen bonding interactions in molecular uranyl materials featuring 2,5-diiodobenzoic acid and N-donor capping ligands
journal, January 2017

High-Yield Synthesis and Single-Crystal X-ray Structure of a Plutonium(III) Aquo Complex: [Pu(H ₂ O) ₉ ][CF ₃ SO ₃ ] ₃
journal, June 2001

Encoding and decoding hydrogen-bond patterns of organic compounds
journal, April 1990

Structural Characterization of Pu[N(SiMe ₃ ) ₂ ] ₃ , a Synthetically Useful Nonaqueous Plutonium(III) Precursor
journal, January 2008

Utilizing hydrogen bonds and halogen–halogen interactions in the design of uranyl hybrid materials
journal, January 2012

Heterogeneous Reduction of PuO ₂ with Fe(II): Importance of the Fe(III) Reaction Product
journal, May 2011

Probing the Influence of N-Donor Capping Ligands on Supramolecular Assembly in Molecular Uranyl Materials
journal, December 2015

Structural Systematics of Rare Earth Complexes. XXII 4-Methylpyridinium Salts of Diverse Complex Aqua/Chloro/Lanthanoid(III) Species
journal, November 2006

Actinide speciation in the environment
journal, January 2003

The Structure and Synthesis of Plutonium(III) Chlorides from Aqueous Solution.
journal, January 2007

Synthesis and Structural Characterization of a Molecular Plutonium(IV) Compound Constructed from Dimeric Building Blocks.
journal, July 2007