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Uncovering the Origin of Divergence in the CsM(CrO 4 ) 2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis

Journal Article · · Journal of the American Chemical Society
DOI:https://doi.org/10.1021/jacs.7b09474· OSTI ID:1434561
 [1];  [1];  [2];  [2];  [3];  [1];  [1];  [1];  [4];  [5];  [5];  [6];  [1];  [7];  [6]
  1. Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, United States
  2. Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08856-8019, United States
  3. Department of Physics and Astronomy, and Ames Laboratory, U.S. Department of Energy, Iowa State University, Ames, Iowa 50011, United States
  4. Department of Physics, Florida State University, Tallahassee, Florida 32306, United States, National High Magnetic Field Laboratory, Tallahassee, Florida 32310, United States
  5. National High Magnetic Field Laboratory, Tallahassee, Florida 32310, United States, Department of Chemical Engineering, Florida State University, Tallahassee, Florida 32310, United States
  6. National High Magnetic Field Laboratory, Tallahassee, Florida 32310, United States
  7. School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, United Kingdom
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Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0016568
OSTI ID:
1434561
Journal Information:
Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 5 Vol. 140; ISSN 0002-7863
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (109)

Hydrothermal Synthesis of Rare Earth Iodates from the Corresponding Periodates: Structures of Sc(IO3)3, Y(IO3)3 · 2 H2O, La(IO3)3 · 1/2 H2O and Lu(IO3)3 · 2 H2O journal January 2002
Bonding Changes in Plutonium(III) and Americium(III) Borates journal August 2011
Polyhedral Structures with an Odd Number of Vertices: Nine-Coordinate Metal Compounds journal January 2008
Expanding the Chemistry of Molecular U 2+ Complexes: Synthesis, Characterization, and Reactivity of the {[C 5 H 3 (SiMe 3 ) 2 ] 3 U} − Anion journal December 2015
Surprising Coordination Geometry Differences in CeIV- and PuIV-Maltol Complexes journal May 2008
Local Structure in Americium and Californium Hexacyanoferrates - Comparison with Their Lanthanide Analogues journal February 2011
Unprecedented Bidentate Coordination of the Uranyl Cation by the Chromate Anion in the Structure of [(CH3)2CHNH3]2[UO2(CrO4)2] journal December 2011
The First Sodium Uranyl Chromate, Na4[(UO2)(CrO4)3]: Synthesis and Crystal Structure Determination journal October 2003
Hydrothermal Synthesis of Rare Earth Iodates from the Corresponding Periodates: II1). Synthesis and Structures of Ln(IO3)3 (Ln = Pr, Nd, Sm, Eu, Gd, Tb, Ho, Er) and Ln(IO3)3· 2H2O (Ln = Eu, Gd, Dy, Er, Tm, Yb) journal March 2004
Isopropylammonium Layered Uranyl Chromates: Syntheses and Crystal Structures of [(CH3)2CHNH3]3[(UO2)3(CrO4)2O(OH)3] and[(CH3)2CHNH3]2[(UO2)2(CrO4)3(H2O)] journal March 2012
Highly Kinked Uranyl Chromate Nitrate Layers in the Crystal Structures of A[(UO2)(CrO4)(NO3)] (A = K, Rb) journal March 2012
The accuracy of the pseudopotential approximation: non-frozen-core effects for spectroscopic constants of alkali fluorides XF (X = K, Rb, Cs) journal June 1996
Synthesis, crystallographic data, magnetic properties and vibrational study of the new series KLn(CrO4)4 (Ln = Eu, Gd, Tb) journal January 1990
Transition metal iodates. II. Crystallographic, magnetic, and nonlinear optic survey of the 3d iodates journal June 1973
Transition metal iodates. VI. Preparation and characterization of the larger lanthanide iodates journal June 1975
Transition metal iodates. VII. Crystallographic and nonlinear optic survey of the 4f-iodates journal January 1976
Crystal growth, IR and Raman spectra, thermal decomposition and magnetic properties of KLn(CrO4)2 (Ln ≡ Pr, Nd, Sm) journal May 1988
A study of ionic conductivity in double rare-earth chromates journal September 1993
On rubidium lanthanide double chromates journal January 1993
Synthesis and characterization of β-RbSc(CrO4)2 journal July 1995
Crystal growth and crystal structure of KTb(CrO4)2 journal March 1990
Transition metal iodates. V. Preparation and characterization of the smaller lanthanide iodates journal December 1974
Covalency in f-element complexes journal January 2013
Evaluation of f-element borate chemistry journal September 2016
Hydrothermal synthesis, structure, Raman spectroscopy, and self-irradiation studies of 248Cm(IO3)3 journal December 2004
Crystal chemistry of thorium nitrates and chromates journal July 2010
New iodate materials as potential laser matrices. Preparation and characterisation of α-M(IO3)3 (M=Y, Dy) and β-M(IO3)3 (M=Y, Ce, Pr, Nd, Eu, Gd, Tb, Dy, Ho, Er). Structural evolution as a function of the Ln3+ cationic radius journal June 2007
Segmented contraction scheme for small-core actinide pseudopotential basis sets journal March 2004
Incorporation of Technetium into Spinel Ferrites journal November 2016
Hydroxypyridinonate Complex Stability of Group (IV) Metals and Tetravalent f-Block Elements: The Key to the Next Generation of Chelating Agents for Radiopharmaceuticals journal March 2015
Selective Extraction of Americium(III) over Europium(III) with the Pyridylpyrazole Based Tetradentate Ligands: Experimental and Theoretical Study journal October 2015
Spontaneous Partitioning of Californium from Curium: Curious Cases from the Crystallization of Curium Coordination Complexes journal November 2015
Monomers, Dimers, and Helices: Complexities of Cerium and Plutonium Phenanthrolinecarboxylates journal April 2016
Covalency-Driven Dimerization of Plutonium(IV) in a Hydroxamate Complex journal May 2016
Variational versus Perturbational Treatment of Spin–Orbit Coupling in Relativistic Density Functional Calculations of Electronic g Factors: Effects from Spin-Polarization and Exact Exchange journal December 2012
Plutonium(IV) Sequestration: Structural and Thermodynamic Evaluation of the Extraordinarily Stable Cerium(IV) Hydroxypyridinonate Complexes1 journal September 2000
Thermodynamic Study of the Complexation of Trivalent Actinide and Lanthanide Cations by ADPTZ, a Tridentate N-Donor Ligand journal March 2005
Synthesis, Structure, and Spectroscopic Properties of Am(IO 3 ) 3 and the Photoluminescence Behavior of Cm(IO 3 ) 3 journal August 2005
Synthesis and Characterization of f -Element Iodate Architectures with Variable Dimensionality, α- and β-Am(IO 3 ) 3 journal March 2006
First Structural Determination of a Trivalent Californium Compound with Oxygen Coordination journal January 2006
Comparisons of Pu(IV) and Ce(IV) Diphosphonates journal April 2010
Structural Periodicity in Plutonium(IV) Sulfates journal June 2011
Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning journal June 2012
Periodic Trends in Lanthanide and Actinide Phosphonates: Discontinuity between Plutonium and Americium journal June 2012
Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III) journal July 2012
New Insights into Formation of Trivalent Actinides Complexes with DTPA journal November 2012
Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of An IV ( Ar acnac) 4 Complexes (An = Th, U, Np, Pu; Ar acnac = Ar N C(Ph)CHC(Ph) O ; Ar = 3,5- t Bu 2 C 6 H 3 ) journal July 2012
Paramagnetism of Aqueous Actinide Cations. Part I: Perchloric Acid Media journal February 2014
High-Resolution Solid-State Oxygen-17 NMR of Actinide-Bearing Compounds: An Insight into the 5f Chemistry journal June 2014
Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR 2 ) 2 ] 3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph, i Pr, H) journal January 2008
Electron-transfer and f-d absorption bands of some lanthanide and actinide complexes and the standard (II-III) oxidation potential for each member of the lanthanide and actinide series journal June 1973
Bis(cyclooctatetraenyl)neptunium(IV) and bis(cyclooctatetraenyl)plutonium(IV) journal August 1970
Comparison of Covalency in the Complexes of Trivalent Actinide and Lanthanide Cations journal August 2002
Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl 6 2– (M = Ti, Zr, Hf, U) and UOCl 5 – Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory journal March 2012
From Yellow to Black: Dramatic Changes between Cerium(IV) and Plutonium(IV) Molybdates journal February 2013
Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr 2+ , Gd 2+ , Tb 2+ , and Lu 2+ journal May 2013
Quantifying the σ and π Interactions between U(V) f Orbitals and Halide, Alkyl, Alkoxide, Amide and Ketimide Ligands journal July 2013
Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln 2+ Ions in the [K(2.2.2-cryptand)][(C 5 H 4 SiMe 3 ) 3 Ln] Complexes: The Variable Nature of Dy 2+ and Nd 2+ journal December 2014
Identification of the Formal +2 Oxidation State of Plutonium: Synthesis and Characterization of {Pu II [C 5 H 3 (SiMe 3 ) 2 ] 3 } − journal March 2017
On the Origin of Covalent Bonding in Heavy Actinides journal July 2017
Synthesis and Initial Evaluation for In Vivo Chelation of Pu(IV) of a Mixed Octadentate Spermine-Based Ligand Containing 4-Carbamoyl-3-hydroxy-1-methyl-2(1 H )-pyridinone and 6-Carbamoyl-1-hydroxy-2(1 H )-pyridinone journal August 2002
Crystal structure of anhydrous bismuth iodate, Bi(IO3)3 journal November 2003
Measurement of the first ionization potential of lawrencium, element 103 journal April 2015
Unusual structure, bonding and properties in a californium borate journal March 2014
Organometallic neptunium(III) complexes journal May 2016
Chelation and stabilization of berkelium in oxidation state +IV journal April 2017
Incipient class II mixed valency in a plutonium solid-state compound journal May 2017
Emergence of californium as the second transitional element in the actinide series journal April 2015
Does covalency really increase across the 5f series? A comparison of molecular orbital, natural population, spin and electron density analyses of AnCp 3 (An = Th–Cm; Cp = η 5 -C 5 H 5 ) journal January 2011
New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory journal January 2014
Formation of a Eu( iii ) borate solid species from a weak Eu( iii ) borate complex in aqueous solution journal January 2014
Covalency hinders AnO 2 (H 2 O) + → AnO(OH) 2 + isomerisation (An = Pa–Pu) journal January 2016
Divalent and trivalent gas-phase coordination complexes of californium: evaluating the stability of Cf( ii ) journal January 2016
Emergence of comparable covalency in isostructural cerium( iv )– and uranium( iv )–carbon multiple bonds journal January 2016
Directed evolution of the periodic table: probing the electronic structure of late actinides journal January 2017
Crystal growth, structure, and properties of KLa(CrO 4 ) 2 journal January 1988
Covalency in AnCp4 (An = Th–Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analyses journal January 2010
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
Evidence for covalence in a N-donor complex of americium(iii) journal January 2013
Valence basis sets for relativistic energy-consistent small-core actinide pseudopotentials journal January 2003
Spectroscopic Properties of Rare Earths journal September 1965
Spectrum analysis of U 3+ :LaCl 3 journal May 1980
Toward reliable density functional methods without adjustable parameters: The PBE0 model journal April 1999
Relevance of Kondo physics for the temperature dependence of the bulk modulus in plutonium journal January 2017
Using Phosphonates to Probe Structural Differences Between Transuranium Elements and Their Proposed Surrogates journal March 2010
First-principles calculations of the electronic structure and spectra of strongly correlated systems: dynamical mean-field theory journal September 1997
Correlation of Electrons in a Narrow s Band journal March 1965
Generalized phase diagram for the rare-earth elements: Calculations and correlations of bulk properties journal April 1975
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism journal May 1976
Structural properties of plutonium from first-principles theory journal January 1997
Antiferromagnetism and d -wave superconductivity in cuprates: A cluster dynamical mean-field theory journal October 2000
Covalency in the actinide dioxides: Systematic study of the electronic properties using screened hybrid density functional theory journal July 2007
Local density approximation combined with Gutzwiller method for correlated electron systems: Formalism and applications journal February 2009
Dynamical mean-field theory within the full-potential methods: Electronic structure of CeIrIn 5 , CeCoIn 5 , and CeRhIn 5 journal May 2010
γ − α Isostructural Transition in Cerium journal November 2013
Principle of Maximum Entanglement Entropy and Local Physics of Strongly Correlated Materials journal July 2014
Slave Boson Theory of Orbital Differentiation with Crystal Field Effects: Application to UO 2 journal March 2017
Continuous-Time Solver for Quantum Impurity Models journal August 2006
Phase Diagram and Electronic Structure of Praseodymium and Plutonium journal January 2015
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal January 1996
Structure validation in chemical crystallography journal January 2009
Thorium(IV) chromate(VI) monohydrate journal November 2006
SHELXT – Integrated space-group and crystal-structure determination journal January 2015
The valence-fluctuating ground state of plutonium journal July 2015
Superconductivity of Americium journal May 1978
Characterization of berkelium(III) dipicolinate and borate compounds in solution and the solid state journal August 2016
Synthesis and crystal structure of americium(V) dichromate, Cs3AmO2(Cr2O7)2·H2O journal January 2013
Demonstration of the LUCA process for the separation of americium(III) from curium(III), californium(III), and lanthanides(III) in acidic solution using a synergistic mixture of bis(chlorophenyl)dithiophosphinic acid and tris(2-ethylhexyl)phosphate journal January 2010
A review of the demonstration of innovative solvent extraction processes for the recovery of trivalent minor actinides from PUREX raffinate journal August 2012

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