Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy

Altman, Alison B.; Pacold, Joseph I.; Wang, Jian; Lukens, Wayne W.; Minasian, Stefan G.

doi:10.1039/c6dt00358c

Title: Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy

Journal Article · Wed Mar 16 00:00:00 EDT 2016 · Dalton Transactions

DOI:https://doi.org/10.1039/c6dt00358c· OSTI ID:1378729

Altman, Alison B. ^[1]; Pacold, Joseph I. ^[2]; Wang, Jian ^[3]; Lukens, Wayne W. ^[2]; Minasian, Stefan G. ^[2]

Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
Canadian Light Sources, Inc., Saskatoon, SK (Canada)

The electronic structure in the complete series of stable lanthanide sesquioxides, Ln ₂ O ₃ (Ln = La to Lu, except radioactive Pm), has been evaluated using oxygen K-edge X-ray absorption spectroscopy (XAS) with a scanning transmission X-ray microscope (STXM). The experimental results agree with recent synthetic, spectroscopic and theoretical investigations that provided evidence for 5d orbital involvement in lanthanide bonding, while confirming the traditional viewpoint that there is little Ln 4f and O 2p orbital mixing. But, the results also showed that changes in the energy and occupancy of the 4f orbitals can impact Ln 5d and O 2p mixing, leading to several different bonding modes for seemingly identical Ln ₂ O ₃ structures. On moving from left to right in the periodic table, abrupt changes were observed for the energy and intensity of transitions associated with Ln 5d and O 2p antibonding states. The resulting changes in peak intensity, which were di rectly related to the amounts of O 2p and Ln 5d mixing, were closely correlated to the well-established trends in the chemical accessibility of the 4f orbitals towards oxidation or reduction. We discussed the unique insight provided by the O K-edge XAS in the context of several recent theoretical and physical studies on trivalent lanthanide compounds.

Cite

Export

Save

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

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

DOE Contract Number:: AC02-05CH11231

OSTI ID:: 1378729

Journal Information:: Dalton Transactions, Vol. 45, Issue 24; ISSN 1477-9226

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (163)

An Organoytterbium(III) Complex Exhibiting Field-Induced Single-Ion-Magnet Behavior Trifonov, Alexander A.; Shestakov, Boris; Long, Jérôme Inorganic Chemistry, Vol. 54, Issue 16 https://doi.org/10.1021/acs.inorgchem.5b01318	journal	July 2015
A Ligand Field Series for the 4f-Block from Experimental and DFT Computed Ce(IV/III) Electrochemical Potentials Bogart, Justin A.; Lewis, Andrew J.; Boreen, Michael A. Inorganic Chemistry, Vol. 54, Issue 6 https://doi.org/10.1021/ic503000z	journal	February 2015
Electronic structure and O K-edge XAS spectroscopy of U3O8 Wen, Xiao-Dong; Löble, Matthias W.; Batista, Enrique R. Journal of Electron Spectroscopy and Related Phenomena, Vol. 194 https://doi.org/10.1016/j.elspec.2014.03.005	journal	June 2014
Hybrid functionals applied to rare-earth oxides: The example of ceria Da Silva, Juarez L. F.; Ganduglia-Pirovano, M. Verónica; Sauer, Joachim Physical Review B, Vol. 75, Issue 4 https://doi.org/10.1103/PhysRevB.75.045121	journal	January 2007
A synchrotron X-ray study of the electron density in C-type rare earth oxides Maslen, E. N.; Streltsov, V. A.; Ishizawa, N. Acta Crystallographica Section B Structural Science, Vol. 52, Issue 3 https://doi.org/10.1107/S0108768195013371	journal	June 1996
Application of the Hubbard Model to Cp* ₂ Yb(bipy), a Model System for Strong Exchange Coupling in Lanthanide Systems Lukens, Wayne W.; Magnani, Nicola; Booth, Corwin H. Inorganic Chemistry, Vol. 51, Issue 19 https://doi.org/10.1021/ic300037q	journal	September 2012
Structural properties and electrical characteristics of electron-beam gun evaporated erbium oxide films Mikhelashvili, V.; Eisenstein, G.; Edelmann, F. Applied Physics Letters, Vol. 80, Issue 12 https://doi.org/10.1063/1.1456267	journal	March 2002
First-principles study of rare-earth oxides Petit, L.; Svane, A.; Szotek, Z. Physical Review B, Vol. 72, Issue 20 https://doi.org/10.1103/PhysRevB.72.205118	journal	November 2005
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 Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R. Journal of the American Chemical Society, Vol. 134, Issue 12 https://doi.org/10.1021/ja2105015	journal	March 2012
Periodicity in the band gap variation of Ln2X3 (X = O, S, Se) in the lanthanide series Prokofiev, A. V.; Shelykh, A. I.; Melekh, B. T. Journal of Alloys and Compounds, Vol. 242, Issue 1-2 https://doi.org/10.1016/0925-8388(96)02293-1	journal	September 1996
Strategies towards single molecule magnets based on lanthanide ions Sessoli, Roberta; Powell, Annie K. Coordination Chemistry Reviews, Vol. 253, Issue 19-20 https://doi.org/10.1016/j.ccr.2008.12.014	journal	October 2009
Polymorphism of the rare Earth Sesquioxides 1 Warshaw, I.; Roy, Rustum The Journal of Physical Chemistry, Vol. 65, Issue 11 https://doi.org/10.1021/j100828a030	journal	November 1961
Comparative Study of f-Element Electronic Structure across a Series of Multimetallic Actinide and Lanthanoid-Actinide Complexes Possessing Redox-Active Bridging Ligands Schelter, Eric J.; Wu, Ruilian; Veauthier, Jacqueline M. Inorganic Chemistry, Vol. 49, Issue 4 https://doi.org/10.1021/ic9024475	journal	February 2010
Covalency in Metal–Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R. Journal of the American Chemical Society, Vol. 135, Issue 5 https://doi.org/10.1021/ja310223b	journal	January 2013
M ‐edge x‐ray absorption spectroscopy of 4 f instabilities in rare‐earth systems (invited) Kaindl, G.; Kalkowski, G.; Brewer, W. D. Journal of Applied Physics, Vol. 55, Issue 6 https://doi.org/10.1063/1.333517	journal	March 1984
Correlation between magnetic frustration and electrical conductivity in $R In {Cu}_{4}$ compounds $(R = Gd − Tm)$ Fritsch, V.; Thompson, J. D.; Sarrao, J. L. Physical Review B, Vol. 73, Issue 9 https://doi.org/10.1103/PhysRevB.73.094413	journal	March 2006
Electron energy loss spectroscopy of interfacial layer formation in Gd2O3 films deposited directly on Si(001) Botton, G. A.; Gupta, J. A.; Landheer, D. Journal of Applied Physics, Vol. 91, Issue 5 https://doi.org/10.1063/1.1446232	journal	March 2002
Rhodamine-based field-induced single molecule magnets in Yb( iii ) and Dy( iii ) series Huang, Wei; Xu, Jun; Wu, Dayu New Journal of Chemistry, Vol. 39, Issue 11 https://doi.org/10.1039/C5NJ01724F	journal	January 2015
Local electronic structure of Ce-doped Y 2 O 3 : An XPS and XAS study Douillard, L.; Gautier, M.; Thromat, N. Physical Review B, Vol. 49, Issue 23 https://doi.org/10.1103/PhysRevB.49.16171	journal	June 1994
Structure properties and magnetic susceptibility of diluted magnetic semiconductor Y2−xHoxO3 Antic, B.; Mitric, M.; Rodic, D. Journal of Magnetism and Magnetic Materials, Vol. 145, Issue 3 https://doi.org/10.1016/0304-8853(94)01625-9	journal	March 1995
Catalytic Properties of Ceria and CeO ₂ -Containing Materials Trovarelli, Alessandro Catalysis Reviews, Vol. 38, Issue 4 https://doi.org/10.1080/01614949608006464	journal	November 1996
Lanthanide-Doped Nanocrystals: Synthesis, Optical-Magnetic Properties, and Applications Wang, Guofeng; Peng, Qing; Li, Yadong Accounts of Chemical Research, Vol. 44, Issue 5 https://doi.org/10.1021/ar100129p	journal	May 2011
Is Cerocene Really a Ce(III) Compound? All-Electron Spin−Orbit Coupled CASPT2 Calculations on M(η ⁸ -C ₈ H ₈ ) ₂ (M = Th, Pa, Ce) Kerridge, Andrew; Coates, Rosemary; Kaltsoyannis, Nikolas The Journal of Physical Chemistry A, Vol. 113, Issue 12 https://doi.org/10.1021/jp807804w	journal	March 2009
3d x-ray-absorption lines and the 3 $d^{9}$ 4 $f^{n + 1}$ multiplets of the lanthanides Thole, B. T.; van der Laan, G.; Fuggle, J. C. Physical Review B, Vol. 32, Issue 8 https://doi.org/10.1103/PhysRevB.32.5107	journal	October 1985
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
Colossal Magnetoresistance in the Transition-Metal Zintl Compound Eu ₁₄ MnSb ₁₁ Chan, Julia Y.; Kauzlarich, Susan M.; Klavins, Peter Chemistry of Materials, Vol. 9, Issue 12 https://doi.org/10.1021/cm9704241	journal	December 1997
Cerocene Revisited: The Electronic Structure of and Interconversion Between Ce ₂ (C ₈ H ₈ ) ₃ and Ce(C ₈ H ₈ ) ₂ Walter, Marc D.; Booth, Corwin H.; Lukens, Wayne W. Organometallics, Vol. 28, Issue 3 https://doi.org/10.1021/om7012327	journal	February 2009
Influence of an Inner-Sphere K ⁺ Ion on the Magnetic Behavior of N ₂ ^3– Radical-Bridged Dilanthanide Complexes Isolated Using an External Magnetic Field Meihaus, Katie R.; Corbey, Jordan F.; Fang, Ming Inorganic Chemistry, Vol. 53, Issue 6 https://doi.org/10.1021/ic4030102	journal	February 2014
Does Covalency Increase or Decrease across the Actinide Series? Implications for Minor Actinide Partitioning Kaltsoyannis, Nikolas Inorganic Chemistry, Vol. 52, Issue 7 https://doi.org/10.1021/ic3006025	journal	June 2012
Self-Contained Kondo Effect in Single Molecules Booth, C. H.; Walter, M. D.; Daniel, M. Physical Review Letters, Vol. 95, Issue 26 https://doi.org/10.1103/PhysRevLett.95.267202	journal	December 2005
Crystal Growth, Transport, and the Structural and Magnetic Properties of Ln 4 FeGa 12 with Ln = Y, Tb, Dy, Ho, and Er Drake, Brenton L.; Grandjean, Fernande; Kangas, Michael J. Inorganic Chemistry, Vol. 49, Issue 2 https://doi.org/10.1021/ic9013202	journal	January 2010
Radical ligand-containing single-molecule magnets Demir, Selvan; Jeon, Ie-Rang; Long, Jeffrey R. Coordination Chemistry Reviews, Vol. 289-290 https://doi.org/10.1016/j.ccr.2014.10.012	journal	April 2015
Identification of the +2 Oxidation State for Uranium in a Crystalline Molecular Complex, [K(2.2.2-Cryptand)][(C ₅ H ₄ SiMe ₃ ) ₃ U] MacDonald, Matthew R.; Fieser, Megan E.; Bates, Jefferson E. Journal of the American Chemical Society, Vol. 135, Issue 36 https://doi.org/10.1021/ja406791t	journal	August 2013
Lanthanide complexes with cyclooctatetraene di-anion Mares, F.; Hodgson, K.; Streitwieser, A. Journal of Organometallic Chemistry, Vol. 24, Issue 3 https://doi.org/10.1016/S0022-328X(00)84477-0	journal	October 1970
New 7r-cyclooctate'I'raenyl and iT-cyclopentadienyl complexes of cerium Greco, Alberto; Cesca, Sebastiano; Bertolini, Wiglielmo Journal of Organometallic Chemistry, Vol. 113, Issue 4 https://doi.org/10.1016/S0022-328X(00)96143-6	journal	July 1976
Effect of Annealing Environment on Low-Temperature Magnetic and Dielectric Properties of EuCo _0.5 Mn _0.5 O ₃ Katari, Vasundhara; Achary, S. N.; Deshpande, S. K. The Journal of Physical Chemistry C, Vol. 118, Issue 31 https://doi.org/10.1021/jp501654c	journal	July 2014
Correlation of some thermodynamic properties of the lanthanide and actinide metals Nugent, L. J.; Burnett, J. L.; Morss, L. R. The Journal of Chemical Thermodynamics, Vol. 5, Issue 5 https://doi.org/10.1016/S0021-9614(73)80007-2	journal	September 1973
A method for normalization of X-ray absorption spectra Weng, Tsu-Chien; Waldo, Geoffrey S.; Penner-Hahn, James E. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049504034193	journal	June 2005
Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr ²⁺ , Gd ²⁺ , Tb ²⁺ , and Lu ²⁺ MacDonald, Matthew R.; Bates, Jefferson E.; Ziller, Joseph W. Journal of the American Chemical Society, Vol. 135, Issue 26 https://doi.org/10.1021/ja403753j	journal	May 2013
Tetraanionic Biphenyl Lanthanide Complexes as Single-Molecule Magnets Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I. Inorganic Chemistry, Vol. 54, Issue 5 https://doi.org/10.1021/ic5029788	journal	February 2015
B3LYP calculations of cerium oxides Kullgren, Jolla; Castleton, Christopher W. M.; Müller, Carsten The Journal of Chemical Physics, Vol. 132, Issue 5 https://doi.org/10.1063/1.3253795	journal	February 2010
Investigating the electronic structure and bonding in uranyl compounds by combining NEXAFS spectroscopy and quantum chemistry Fillaux, Clara; Guillaumont, Dominique; Berthet, Jean-Claude Physical Chemistry Chemical Physics, Vol. 12, Issue 42 https://doi.org/10.1039/c0cp00386g	journal	January 2010
Preparation, crystalline properties and X-ray absorption spectra of rare earth oxides ROx (R ≡ Ce, PrandTb; 1.5 ⩽ x ⩽ 2) Gasgnier, M.; Schiffmacher, G.; Albert, L. Journal of the Less Common Metals, Vol. 156, Issue 1-2 https://doi.org/10.1016/0022-5088(89)90407-4	journal	December 1989
Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp 3 and LuCp 3 † Coreno, Marcello; de Simone, Monica; Coates, Rosemary Organometallics, Vol. 29, Issue 21 https://doi.org/10.1021/om100240m	journal	November 2010
Structural and magnetic conformation of a cerocene [Ce(COT′′) ₂ ] ⁻ exhibiting a uniconfigurational f ¹ ground state and slow-magnetic relaxation Le Roy, Jennifer J.; Korobkov, Ilia; Kim, Jee Eon Dalton Trans., Vol. 43, Issue 7 https://doi.org/10.1039/C3DT53280A	journal	January 2014
Hybrid Gadolinium Oxide Nanoparticles: Multimodal Contrast Agents for in Vivo Imaging Bridot, Jean-Luc; Faure, Anne-Charlotte; Laurent, Sophie Journal of the American Chemical Society, Vol. 129, Issue 16 https://doi.org/10.1021/ja068356j	journal	April 2007
Band offsets between Si and epitaxial rare earth sesquioxides (RE2O3, RE=La,Nd,Gd,Lu): Effect of 4f-shell occupancy Afanas’ev, V. V.; Badylevich, M.; Stesmans, A. Applied Physics Letters, Vol. 93, Issue 19 https://doi.org/10.1063/1.3003872	journal	November 2008
Electronic structure and optical properties of rare earth sesquioxides (R2O3, R=La, Pr, and Nd) Singh, Nirpendra; Saini, Sapan Mohan; Nautiyal, Tashi Journal of Applied Physics, Vol. 100, Issue 8 https://doi.org/10.1063/1.2353267	journal	October 2006
Design Criteria for High-Temperature Single-Molecule Magnets Chilton, Nicholas F. Inorganic Chemistry, Vol. 54, Issue 5 https://doi.org/10.1021/acs.inorgchem.5b00089	journal	February 2015
New X-ray powder diffraction data and Rietveld refinement for Gd 2 O 3 monodispersed fine spherical particles Pires, Ana Maria; Davolos, Marian Rosaly; Paiva-Santos, Carlos O. Journal of Solid State Chemistry, Vol. 171, Issue 1-2 https://doi.org/10.1016/S0022-4596(02)00224-4	journal	February 2003
Electron density distribution and chemical bonding of Ln2O3 (Ln = Y, Tm, Yb) from powder X-ray diffraction data by the maximum-entropy method Ishibashi, H.; Shimomoto, K.; Nakahigashi, K. Journal of Physics and Chemistry of Solids, Vol. 55, Issue 9 https://doi.org/10.1016/0022-3697(94)90004-3	journal	September 1994
Covalency in the 4f Shell of tris -Cyclopentadienyl Ytterbium (YbCp ₃ )—A Spectroscopic Evaluation Denning, Robert G.; Harmer, Jeffrey; Green, Jennifer C. Journal of the American Chemical Society, Vol. 133, Issue 50 https://doi.org/10.1021/ja209311g	journal	December 2011
Valence fluctuations in narrow band oxides Allen, J. W. Journal of Magnetism and Magnetic Materials, Vol. 47-48 https://doi.org/10.1016/0304-8853(85)90388-9	journal	February 1985
Sulfur K-edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory of Dithiophosphinate Extractants: Minor Actinide Selectivity and Electronic Structure Correlations Daly, Scott R.; Keith, Jason M.; Batista, Enrique R. Journal of the American Chemical Society, Vol. 134, Issue 35 https://doi.org/10.1021/ja303999q	journal	August 2012
Exploiting single-ion anisotropy in the design of f-element single-molecule magnets Rinehart, Jeffrey D.; Long, Jeffrey R. Chemical Science, Vol. 2, Issue 11 https://doi.org/10.1039/c1sc00513h	journal	January 2011
Electronic structure of f1 lanthanide and actinide complexes. Part 2. Non-relativistic and relativistic calculations of the ground state electronic structures and optical transition energies of [Ce(η-C5H5)3], [Th(η-C5H5)3] and [Pa(η-C8H8)2] Kaltsoyannis, Nikolas; Bursten, Bruce E. Journal of Organometallic Chemistry, Vol. 528, Issue 1-2 https://doi.org/10.1016/S0022-328X(96)06406-6	journal	February 1997
Effect of valence mixing on multiplet structure in core photoabsorption spectra for Ce compounds Jo, T.; Kotani, A. Physical Review B, Vol. 38, Issue 1 https://doi.org/10.1103/PhysRevB.38.830	journal	July 1988
Fine-tuning the Local Symmetry to Attain Record Blocking Temperature and Magnetic Remanence in a Single-Ion Magnet Ungur, Liviu; Le Roy, Jennifer J.; Korobkov, Ilia Angewandte Chemie International Edition, Vol. 53, Issue 17 https://doi.org/10.1002/anie.201310451	journal	March 2014
Electronic structure, chemical bonding and X-ray photoelectron spectra of heavy rare-earth oxides Ryzhkov, M. V.; Gubanov, V. A.; Teterin, Yu. A. Zeitschrift f�r Physik B Condensed Matter, Vol. 59, Issue 1 https://doi.org/10.1007/BF01325376	journal	March 1985
Electronic structure, chemical bonding and X-ray photoelectron spectra of light rare-earth oxides Ryzhkov, M. V.; Gubanov, V. A.; Teterin, Yu. A. Zeitschrift f�r Physik B Condensed Matter, Vol. 59, Issue 1 https://doi.org/10.1007/BF01325375	journal	March 1985
Specific intermediate-valence state of insulating 4 f compounds detected by $L_{3}$ x-ray absorption Bianconi, A.; Marcelli, A.; Dexpert, H. Physical Review B, Vol. 35, Issue 2 https://doi.org/10.1103/PhysRevB.35.806	journal	January 1987
Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines Booth, Corwin H.; Kazhdan, Daniel; Werkema, Evan L. Journal of the American Chemical Society, Vol. 132, Issue 49 https://doi.org/10.1021/ja106902s	journal	December 2010
Formally tetravalent cerium and thorium compounds: a configuration interaction study of cerocene Ce(C8H8)2 and thorocene Th(C8H8)2 using energy-adjusted quasirelativistic ab initio pseudopotentials Dolg, M.; Fulde, P.; Stoll, H. Chemical Physics, Vol. 195, Issue 1-3 https://doi.org/10.1016/0301-0104(94)00363-F	journal	June 1995
Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework Robinson, Jerome R.; Gordon, Zachary; Booth, Corwin H. Journal of the American Chemical Society, Vol. 135, Issue 50 https://doi.org/10.1021/ja410688w	journal	December 2013
Ab initio theory of valency in ytterbium compounds Svane, A.; Temmerman, W. M.; Szotek, Z. Physical Review B, Vol. 62, Issue 20 https://doi.org/10.1103/PhysRevB.62.13394	journal	November 2000
A Trigonal-Pyramidal Erbium(III) Single-Molecule Magnet Brown, Andrew J.; Pinkowicz, Dawid; Saber, Mohamed R. Angewandte Chemie International Edition, Vol. 54, Issue 20 https://doi.org/10.1002/anie.201411190	journal	March 2015
Electron spectroscopy of single crystal and polycrystalline cerium oxide surfaces Mullins, D. R.; Overbury, S. H.; Huntley, D. R. Surface Science, Vol. 409, Issue 2 https://doi.org/10.1016/S0039-6028(98)00257-X	journal	July 1998
Electrical conduction in non-metallic rare-earth solids Lal, H. B.; Gaur, Kanchan Journal of Materials Science, Vol. 23, Issue 3 https://doi.org/10.1007/BF01153989	journal	March 1988
Nature of the electronic band gap in lanthanide oxides Gillen, Roland; Clark, Stewart J.; Robertson, John Physical Review B, Vol. 87, Issue 12 https://doi.org/10.1103/PhysRevB.87.125116	journal	March 2013
The formation of rare earth oxides far from equilibrium Gasgnier, M.; Schiffmacher, G.; Caro, P. Journal of the Less Common Metals, Vol. 116, Issue 1 https://doi.org/10.1016/0022-5088(86)90214-6	journal	February 1986
The crystal structure of the low-temperature A-type modification of Pr2O3 from X-ray powder and electron single crystal diffraction Greis, O.; Ziel, R.; Breidenstein, B. Journal of Alloys and Compounds, Vol. 216, Issue 2 https://doi.org/10.1016/0925-8388(94)01265-J	journal	January 1995
Inner shell spectroscopy of (η ⁵ -C ₅ H ₅ ) ₂ TiCl ₂ , (η ⁵ -C ₅ H ₅ )TiCl ₃ , and TiCl ₄ Wen, A. T.; Hitchcock, A. P. Canadian Journal of Chemistry, Vol. 71, Issue 10 https://doi.org/10.1139/v93-204	journal	October 1993
Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexes Vetere, Valentina; Maldivi, Pascale; Adamo, Carlo Journal of Computational Chemistry, Vol. 24, Issue 7 https://doi.org/10.1002/jcc.10228	journal	May 2003
Lanthanide Single-Molecule Magnets Woodruff, Daniel N.; Winpenny, Richard E. P.; Layfield, Richard A. Chemical Reviews, Vol. 113, Issue 7 https://doi.org/10.1021/cr400018q	journal	March 2013
A Lanthanide−Gallium Complex Stabilized by the N-Heterocyclic Carbene Group Arnold, Polly L.; Liddle, Stephen T.; McMaster, Jonathan Journal of the American Chemical Society, Vol. 129, Issue 17 https://doi.org/10.1021/ja0710858	journal	May 2007
Superconductivity at 43 K in SmFeAsO1-xF x Chen, X. H.; Wu, T.; Wu, G. Nature, Vol. 453, Issue 7196 https://doi.org/10.1038/nature07045	journal	May 2008
Rational Design of Single-Ion Magnets and Spin Qubits Based on Mononuclear Lanthanoid Complexes Baldoví, José J.; Cardona-Serra, Salvador; Clemente-Juan, Juan M. Inorganic Chemistry, Vol. 51, Issue 22 https://doi.org/10.1021/ic302068c	journal	October 2012
Localized and Itinerant States in Lanthanide Oxides United by $G W @ LDA + U$ Jiang, Hong; Gomez-Abal, Ricardo I.; Rinke, Patrick Physical Review Letters, Vol. 102, Issue 12 https://doi.org/10.1103/PhysRevLett.102.126403	journal	March 2009
Simultaneous phase and size control of upconversion nanocrystals through lanthanide doping Wang, Feng; Han, Yu; Lim, Chin Seong Nature, Vol. 463, Issue 7284 https://doi.org/10.1038/nature08777	journal	February 2010
Structural Investigations of Lu ₂ O ₃ as Single Crystal and Polycrystalline Transparent Ceramic Guzik, Malgorzata; Pejchal, Jan; Yoshikawa, Akira Crystal Growth & Design, Vol. 14, Issue 7 https://doi.org/10.1021/cg500225v	journal	May 2014
An X-ray diffraction and magnetic susceptibility study of TmxY2−xO3 Blanusa, J.; Mitric, M.; Rodic, D. Journal of Magnetism and Magnetic Materials, Vol. 213, Issue 1-2 https://doi.org/10.1016/S0304-8853(99)00797-0	journal	April 2000
Theory of core-level spectroscopy of rare-earth oxides Kotani, Akio; Ogasawara, Haruhiko Journal of Electron Spectroscopy and Related Phenomena, Vol. 60, Issue 4 https://doi.org/10.1016/0368-2048(92)80024-3	journal	December 1992
Ground state calculations of di‐π‐cyclooctatetraene cerium Dolg, Michael; Fulde, Peter; Küchle, Wolfgang The Journal of Chemical Physics, Vol. 94, Issue 4 https://doi.org/10.1063/1.459824	journal	February 1991
Covalency in CeIV and UIV Halide and N-Heterocyclic Carbene Bonds Arnold, Polly L.; Turner, Zoë R.; Kaltsoyannis, Nikolas Chemistry - A European Journal, Vol. 16, Issue 31 https://doi.org/10.1002/chem.201001471	journal	July 2010
Constraining and Tuning the Coordination Geometry of a Lanthanide Ion in Metal–Organic Frameworks: Approach toward a Single-Molecule Magnet Liu, Ke; Li, Huanhuan; Zhang, Xuejing Inorganic Chemistry, Vol. 54, Issue 21 https://doi.org/10.1021/acs.inorgchem.5b01356	journal	October 2015
A Comparison of 4 f vs 5 f Metal−Metal Bonds in (CpSiMe ₃ ) ₃ M−ECp* (M = Nd, U; E = Al, Ga; Cp* = C ₅ Me ₅ ): Synthesis, Thermodynamics, Magnetism, and Electronic Structure Minasian, Stefan G.; Krinsky, Jamin L.; Rinehart, Jeffrey D. Journal of the American Chemical Society, Vol. 131, Issue 38 https://doi.org/10.1021/ja904565j	journal	September 2009
Ground States, Excited States, and Metal−Ligand Bonding in Rare Earth Hexachloro Complexes: A DFT-Based Ligand Field Study Atanasov, M.; Daul, C.; Güdel, H. U. Inorganic Chemistry, Vol. 44, Issue 8 https://doi.org/10.1021/ic040105t	journal	April 2005
Electronic, structural, and optical properties of crystalline yttria Xu, Yong-Nian; Gu, Zhong-quan; Ching, W. Y. Physical Review B, Vol. 56, Issue 23 https://doi.org/10.1103/PhysRevB.56.14993	journal	December 1997
Interferometer-controlled scanning transmission X-ray microscopes at the Advanced Light Source Kilcoyne, A. L. D.; Tyliszczak, T.; Steele, W. F. Journal of Synchrotron Radiation, Vol. 10, Issue 2 https://doi.org/10.1107/S0909049502017739	journal	February 2003
Covalent Lanthanide Chemistry Near the Limit of Weak Bonding: Observation of (CpSiMe ₃ ) ₃ Ce−ECp* and a Comprehensive Density Functional Theory Analysis of Cp ₃ Ln−ECp (E = Al, Ga) Krinsky, Jamin L.; Minasian, Stefan G.; Arnold, John Inorganic Chemistry, Vol. 50, Issue 1 https://doi.org/10.1021/ic102028d	journal	January 2011
Delocalization of 4f Electrons in Gadolinium Oxide on the Nanometer Scale Ou, M.; Mauchamp, V.; Mutelet, B. The Journal of Physical Chemistry C, Vol. 113, Issue 10 https://doi.org/10.1021/jp808931k	journal	February 2009
Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study Kerridge, Andrew Dalton Transactions, Vol. 42, Issue 46 https://doi.org/10.1039/c3dt52279b	journal	January 2013
Uranium oxides investigated by X-ray absorption and emission spectroscopies Magnuson, M.; Butorin, S. M.; Werme, L. Applied Surface Science, Vol. 252, Issue 15 https://doi.org/10.1016/j.apsusc.2005.12.131	journal	May 2006
Direct Comparison of the Magnetic and Electronic Properties of Samarocene and Ytterbocene Terpyridine Complexes Veauthier, Jacqueline M.; Schelter, Eric J.; Carlson, Christin N. Inorganic Chemistry, Vol. 47, Issue 13 https://doi.org/10.1021/ic8001465	journal	July 2008
The Binary Rare Earth Oxides Adachi, Gin-ya; Imanaka, Nobuhito Chemical Reviews, Vol. 98, Issue 4 https://doi.org/10.1021/cr940055h	journal	June 1998
Planar Dy 3 + Dy 3 clusters: design, structure and axial ligand perturbed magnetic dynamics Li, Xiao-Lei; Li, Han; Chen, Di-Ming Dalton Transactions, Vol. 44, Issue 47 https://doi.org/10.1039/C5DT03931B	journal	January 2015
Band offsets and Schottky barrier heights of high dielectric constant oxides Peacock, P. W.; Robertson, J. Journal of Applied Physics, Vol. 92, Issue 8 https://doi.org/10.1063/1.1506388	journal	October 2002
Synthesis and Characterization of a Uranium(II) Monoarene Complex Supported by δ Backbonding La Pierre, Henry S.; Scheurer, Andreas; Heinemann, Frank W. Angewandte Chemie International Edition, Vol. 53, Issue 28 https://doi.org/10.1002/anie.201402050	journal	May 2014
First-principles $LDA + U$ and $GGA + U$ study of cerium oxides: Dependence on the effective U parameter Loschen, Christoph; Carrasco, Javier; Neyman, Konstantin M. Physical Review B, Vol. 75, Issue 3 https://doi.org/10.1103/PhysRevB.75.035115	journal	January 2007
Luminescence spectra of a series of cerium(III) halides and organometallics. Probes of bonding properties using 4f-5d excited states Hazin, Paulette N.; Bruno, Joseph W.; Brittain, Harry G. Organometallics, Vol. 6, Issue 5 https://doi.org/10.1021/om00148a002	journal	May 1987
Electronic properties of lanthanide oxides from the $G W$ perspective Jiang, Hong; Rinke, Patrick; Scheffler, Matthias Physical Review B, Vol. 86, Issue 12 https://doi.org/10.1103/PhysRevB.86.125115	journal	September 2012
Effective core potential methods for the lanthanides Cundari, Thomas R.; Stevens, Walter J. The Journal of Chemical Physics, Vol. 98, Issue 7 https://doi.org/10.1063/1.464902	journal	April 1993
Metal and Ligand K-Edge XAS of Organotitanium Complexes: Metal 4p and 3d Contributions to Pre-edge Intensity and Their Contributions to Bonding DeBeer George, Serena; Brant, Patrick; Solomon, Edward I. Journal of the American Chemical Society, Vol. 127, Issue 2 https://doi.org/10.1021/ja044827v	journal	January 2005
Reversible Sigma C–C Bond Formation Between Phenanthroline Ligands Activated by (C ₅ Me ₅ ) ₂ Yb Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H. Journal of the American Chemical Society, Vol. 136, Issue 24 https://doi.org/10.1021/ja502271q	journal	June 2014
Ligand K-Edge X-ray Absorption Spectroscopy: A Direct Probe of Ligand−Metal Covalency Glaser, Thorsten; Hedman, Britt; Hodgson, Keith O. Accounts of Chemical Research, Vol. 33, Issue 12 https://doi.org/10.1021/ar990125c	journal	December 2000
Wuilloud et al. Respond Wuilloud, E.; Delley, B.; Schneider, W. -D. Physical Review Letters, Vol. 53, Issue 26 https://doi.org/10.1103/PhysRevLett.53.2519	journal	December 1984
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⁺ Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T. Journal of the American Chemical Society, Vol. 137, Issue 1 https://doi.org/10.1021/ja510831n	journal	December 2014
Local Electronic and Atomic Structure of Ce³⁺-Containing Fluoride/Oxide Determined by TEM-EELS and First-Principles Calculations Nishida, Ikuo; Tatsumi, Kazuyoshi; Muto, Shunsuke MATERIALS TRANSACTIONS, Vol. 50, Issue 5 https://doi.org/10.2320/matertrans.MC200828	journal	January 2009
Synthesis, structure, and reactivity of crystalline molecular complexes of the {[C ₅ H ₃ (SiMe ₃ ) ₂ ] ₃ Th} ¹⁻ anion containing thorium in the formal +2 oxidation state Langeslay, Ryan R.; Fieser, Megan E.; Ziller, Joseph W. Chemical Science, Vol. 6, Issue 1 https://doi.org/10.1039/C4SC03033H	journal	January 2015
Ligand K-Edge X-ray Absorption Spectroscopy as a Probe of Ligand-Metal Bonding: Charge Donation and Covalency in Copper-Chloride Systems Shadle, Susan E.; Hedman, Britt; Hodgson, Keith O. Inorganic Chemistry, Vol. 33, Issue 19 https://doi.org/10.1021/ic00097a009	journal	September 1994
Modeling of $Ce O_{2}$ , ${Ce}_{2} O_{3}$ , and $Ce O_{2 - x}$ in the $LDA + U$ formalism Andersson, D. A.; Simak, S. I.; Johansson, B. Physical Review B, Vol. 75, Issue 3 https://doi.org/10.1103/PhysRevB.75.035109	journal	January 2007
The First Example of a μ 2 -Imido Functionality Bound to a Lanthanide Metal Center: X-ray Crystal Structure and DFT Study of [(μ-ArN)Sm(μ-NHAr)(μ-Me)AlMe 2 ] 2 (Ar = 2,6- i Pr 2 C 6 H 3 ) 1 Gordon, John C.; Giesbrecht, Garth R.; Clark, David L. Organometallics, Vol. 21, Issue 22 https://doi.org/10.1021/om0206960	journal	October 2002
Etude par diffraction neutronique des structures de haute temperature de La2O3 et Nd2O3 Aldebert, P.; Traverse, J. P. Materials Research Bulletin, Vol. 14, Issue 3 https://doi.org/10.1016/0025-5408(79)90095-3	journal	March 1979
Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl ₆ ^{x –} ( x = 3, 2) Löble, Matthias W.; Keith, Jason M.; Altman, Alison B. Journal of the American Chemical Society, Vol. 137, Issue 7 https://doi.org/10.1021/ja510067v	journal	February 2015
Record High Single-Ion Magnetic Moments Through 4f ⁿ 5d ¹ Electron Configurations in the Divalent Lanthanide Complexes [(C ₅ H ₄ SiMe ₃ ) ₃ Ln] ⁻ Meihaus, Katie R.; Fieser, Megan E.; Corbey, Jordan F. Journal of the American Chemical Society, Vol. 137, Issue 31 https://doi.org/10.1021/jacs.5b03710	journal	July 2015
Trends in Covalency for d- and f-Element Metallocene Dichlorides Identified Using Chlorine K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory Kozimor, Stosh A.; Yang, Ping; Batista, Enrique R. Journal of the American Chemical Society, Vol. 131, Issue 34 https://doi.org/10.1021/ja9015759	journal	September 2009
Unprecedented magnetic relaxation via the fourth excited state in low-coordinate lanthanide single-ion magnets: a theoretical perspective Singh, Saurabh Kumar; Gupta, Tulika; Shanmugam, Maheswaran Chem. Commun., Vol. 50, Issue 98 https://doi.org/10.1039/C4CC05522E	journal	January 2014
Pressure-induced changes in $L_{III}$ x-ray-absorption near-edge structure of Ce $O_{2}$ and Ce $F_{4}$ : Relevance to $4 f$ -electronic structure Kaindl, G.; Schmiester, G.; Sampathkumaran, E. V. Physical Review B, Vol. 38, Issue 14 https://doi.org/10.1103/PhysRevB.38.10174	journal	November 1988
Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional Hay, P. Jeffrey; Martin, Richard L.; Uddin, Jamal The Journal of Chemical Physics, Vol. 125, Issue 3 https://doi.org/10.1063/1.2206184	journal	July 2006
A Comparative Study of π-Arene-Bridged Lanthanum Arylamide and Aryloxide Dimers. Solution Behavior, Exchange Mechanisms, and X-ray Crystal Structures of La 2 (NH-2,6- i Pr 2 C 6 H 3 ) 6, La(NH-2,6- i Pr 2 C 6 H 3 ) 3 (THF) 3 , and La(NH-2,6- i Pr 2 C 6 H 3 ) 3 (py) 2 Giesbrecht, Garth R.; Gordon, John C.; Clark, David L. Journal of the American Chemical Society, Vol. 126, Issue 20 https://doi.org/10.1021/ja0398262	journal	May 2004
Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR ₂ , and (BDI)AlX ₂ Complexes Altman, Alison B.; Pemmaraju, C. D.; Camp, Clément Journal of the American Chemical Society, Vol. 137, Issue 32 https://doi.org/10.1021/jacs.5b05854	journal	August 2015
Energy-band diagram of metal/Lu2O3/silicon structures Seguini, G.; Bonera, E.; Spiga, S. Applied Physics Letters, Vol. 85, Issue 22 https://doi.org/10.1063/1.1828600	journal	November 2004
Magnetic properties of trivalent Sm ions in SmxY2−xO3 Mitric, M.; Blanusa, J.; Barudzija, T. Journal of Alloys and Compounds, Vol. 485, Issue 1-2 https://doi.org/10.1016/j.jallcom.2009.05.142	journal	October 2009
The crystal structure of A-Ce2O3 Bärnighausen, H.; Schiller, G. Journal of the Less Common Metals, Vol. 110, Issue 1-2 https://doi.org/10.1016/0022-5088(85)90347-9	journal	August 1985
Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II) MacDonald, Matthew R.; Bates, Jefferson E.; Fieser, Megan E. Journal of the American Chemical Society, Vol. 134, Issue 20 https://doi.org/10.1021/ja303357w	journal	May 2012
CORE-HOLE EFFECT IN THE Ce L ₃ X-RAY ABSORPTION SPECTRA OF CeO ₂ AND CeFe ₂ : NEW EXAMINATION BY USING RESONANT X-RAY EMISSION SPECTROSCOPY Kotani, A. Modern Physics Letters B, Vol. 27, Issue 16 https://doi.org/10.1142/S0217984913300123	journal	June 2013
Ligand Effects in the Synthesis of Ln ²⁺ Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C–H Bond Activation of an Indenyl Anion Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T. Organometallics, Vol. 34, Issue 15 https://doi.org/10.1021/acs.organomet.5b00500	journal	May 2015
Spin−Orbit Relativistic Time-Dependent Density Functional Calculations of the Metal and Ligand Pre-Edge XAS Intensities of Organotitanium Complexes: TiCl ₄ , Ti(η ⁵ -C ₅ H ₅ )Cl ₃ , and Ti(η ⁵ -C ₅ H ₅ ) ₂ Cl ₂ Casarin, Maurizio; Finetti, Paola; Vittadini, Andrea The Journal of Physical Chemistry A, Vol. 111, Issue 24 https://doi.org/10.1021/jp071561g	journal	June 2007
Electronic structure of yttrium oxide Jollet, F.; Noguera, C.; Thromat, N. Physical Review B, Vol. 42, Issue 12 https://doi.org/10.1103/PhysRevB.42.7587	journal	October 1990
Terbium Oxides. III. X-Ray Diffraction Studies of Several Stable Phases Baenziger, N. C.; Eick, H. A.; Schuldt, H. S. Journal of the American Chemical Society, Vol. 83, Issue 10 https://doi.org/10.1021/ja01471a001	journal	May 1961
Homoleptic Cerium(III) and Cerium(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State Bogart, Justin A.; Lewis, Andrew J.; Medling, Scott A. Inorganic Chemistry, Vol. 52, Issue 19 https://doi.org/10.1021/ic401974t	journal	September 2013
Ligand K-edge x-ray absorption spectroscopic studies: metal-ligand covalency in a series of transition metal tetrachlorides Shadle, Susan E.; Hedman, Britt; Hodgson, Keith O. Journal of the American Chemical Society, Vol. 117, Issue 8 https://doi.org/10.1021/ja00113a015	journal	March 1995
X-ray structure determination of the rare earth oxides (Er _{1− u} Gd _u ) ₂ O ₃ applying the Rietveld method Heiba, Zein; Okuyucu, Hasan; Hascicek, Y. S. Journal of Applied Crystallography, Vol. 35, Issue 5 https://doi.org/10.1107/S0021889802010555	journal	September 2002
Atomic Shielding Constants Slater, J. C. Physical Review, Vol. 36, Issue 1 https://doi.org/10.1103/PhysRev.36.57	journal	July 1930
Influence of Pyrazolate vs N -Heterocyclic Carbene Ligands on the Slow Magnetic Relaxation of Homoleptic Trischelate Lanthanide(III) and Uranium(III) Complexes Meihaus, Katie R.; Minasian, Stefan G.; Lukens, Wayne W. Journal of the American Chemical Society, Vol. 136, Issue 16 https://doi.org/10.1021/ja501569t	journal	April 2014
High-Quality Sodium Rare-Earth Fluoride Nanocrystals: Controlled Synthesis and Optical Properties Mai, Hao-Xin; Zhang, Ya-Wen; Si, Rui Journal of the American Chemical Society, Vol. 128, Issue 19 https://doi.org/10.1021/ja060212h	journal	May 2006
Reactivity of the Ln ²⁺ Complexes [K(2.2.2-cryptand)][(C ₅ H ₄ SiMe ₃ ) ₃ Ln]: Reduction of Naphthalene and Biphenyl Kotyk, Christopher M.; MacDonald, Matthew R.; Ziller, Joseph W. Organometallics, Vol. 34, Issue 11 https://doi.org/10.1021/om501063h	journal	November 2014
Two interpretations of the cerocene electronic ground state Mooßen, Oliver; Dolg, Michael Chemical Physics Letters, Vol. 594 https://doi.org/10.1016/j.cplett.2014.01.022	journal	February 2014
Solution Infrared Spectroscopic Studies on Equilibrium Reactions of CO with the Decamethylmetallocenes Cp* 2 M II , Where M II = Mg, Ca, Sr, Ba, Sm, Eu, Yb Selg, Peter; Brintzinger, Hans H.; Schultz, Madeleine Organometallics, Vol. 21, Issue 15 https://doi.org/10.1021/om011045r	journal	July 2002
New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R. Chem. Sci., Vol. 5, Issue 1 https://doi.org/10.1039/C3SC52030G	journal	January 2014
Structural and Oxygen Storage/Release Properties of CeO 2 -Based Solid Solutions Trovarelli, Alessandro Comments on Inorganic Chemistry, Vol. 20, Issue 4-6 https://doi.org/10.1080/02603599908021446	journal	January 1999
Construction of a General Library for the Rational Design of Nanomagnets and Spin Qubits Based on Mononuclear f-Block Complexes. The Polyoxometalate Case Baldoví, José J.; Clemente-Juan, Juan M.; Coronado, Eugenio Inorganic Chemistry, Vol. 53, Issue 18 https://doi.org/10.1021/ic501867d	journal	August 2014
Carbon K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory Examination of Metal–Carbon Bonding in Metallocene Dichlorides Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R. Journal of the American Chemical Society, Vol. 135, Issue 39 https://doi.org/10.1021/ja405844j	journal	September 2013
Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes Demir, Selvan; Zadrozny, Joseph M.; Nippe, Michael Journal of the American Chemical Society, Vol. 134, Issue 45 https://doi.org/10.1021/ja308945d	journal	November 2012
Ab initio study on structure and phase transition of A- and B-type rare-earth sesquioxides Ln2O3 (Ln=La–Lu, Y, and Sc) based on density function theory Wu, Bo; Zinkevich, Matvei; Aldinger, Fritz Journal of Solid State Chemistry, Vol. 180, Issue 11 https://doi.org/10.1016/j.jssc.2007.09.022	journal	November 2007
Ligand K-edge X-ray absorption spectroscopy: covalency of ligand–metal bonds Solomon, Edward I.; Hedman, Britt; Hodgson, Keith O. Coordination Chemistry Reviews, Vol. 249, Issue 1-2 https://doi.org/10.1016/j.ccr.2004.03.020	journal	January 2005
Soft X-ray spectromicroscopy beamline at the CLS: Commissioning results Kaznatcheev, K. V.; Karunakaran, Ch.; Lanke, U. D. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 582, Issue 1 https://doi.org/10.1016/j.nima.2007.08.083	journal	November 2007
On the stability and bonding in bis(η-arene)ianthanide complexes Anderson, David M.; Cloke, F. Geoffrey N.; Cox, P. Anthony J. Chem. Soc., Chem. Commun., Issue 1 https://doi.org/10.1039/C39890000053	journal	January 1989
All the Lanthanides Do It and Even Uranium Does Oxidation State +2 Meyer, Gerd Angewandte Chemie International Edition, Vol. 53, Issue 14 https://doi.org/10.1002/anie.201311325	journal	March 2014
Energies of the Electronic Configurations of the Singly, Doubly, and Triply Ionized Lanthanides and Actinides Brewer, Leo Journal of the Optical Society of America, Vol. 61, Issue 12 https://doi.org/10.1364/JOSA.61.001666	journal	January 1971
Determination of Ce4+/Ce3+ in electron-beam-damaged CeO2 by electron energy-loss spectroscopy Garvie, L. A. J.; Buseck, P. R. Journal of Physics and Chemistry of Solids, Vol. 60, Issue 12 https://doi.org/10.1016/S0022-3697(99)00218-8	journal	December 1999
Understanding the valency of rare earths from first-principles theory Strange, P.; Svane, A.; Temmerman, W. M. Nature, Vol. 399, Issue 6738 https://doi.org/10.1038/21595	journal	June 1999
X-ray absorption studies of ${CeO}_{2}$ , ${PrO}_{2}$ , and ${TbO}_{2}$ . II. Rare-earth valence state by $L_{III}$ absorption edges Dexpert, H.; Karnatak, R. C.; Esteva, J. -M. Physical Review B, Vol. 36, Issue 3 https://doi.org/10.1103/PhysRevB.36.1750	journal	July 1987
Chemical Reduction of Actinides Probed by Resonant Inelastic X-ray Scattering Butorin, Sergei M.; Shuh, David K.; Kvashnina, Kristina O. Analytical Chemistry, Vol. 85, Issue 23 https://doi.org/10.1021/ac4020534	journal	November 2013
Organo-f-element bonding energetics. Large magnitudes of metal arene bond enthalpies in zero-valent lanthanide sandwich complexes King, Wayne A.; Marks, Tobin J.; Anderson, David M. Journal of the American Chemical Society, Vol. 114, Issue 23 https://doi.org/10.1021/ja00049a084	journal	November 1992
Experimental and Theoretical Comparison of the O K-Edge Nonresonant Inelastic X-ray Scattering and X-ray Absorption Spectra of NaReO ₄ Bradley, Joseph A.; Yang, Ping; Batista, Enrique R. Journal of the American Chemical Society, Vol. 132, Issue 39 https://doi.org/10.1021/ja1040978	journal	October 2010
Ln-4f/ligand-2p covalence in BaLnO3 and Cs3LnF7 (Ln=Ce, Pr, Tb) Hu, Z.; Kaindl, G.; Ogasawara, H. Chemical Physics Letters, Vol. 325, Issue 1-3 https://doi.org/10.1016/S0009-2614(00)00656-4	journal	July 2000
Ab initio calculation of the crystal structure of the lanthanide Ln2O3 sesquioxides Hirosaki, Naoto; Ogata, Shigenobu; Kocer, Cenk Journal of Alloys and Compounds, Vol. 351, Issue 1-2 https://doi.org/10.1016/S0925-8388(02)01043-5	journal	March 2003
Rare earth valence in ROx (R  Ce, Pr, Tb; 1.5 ⩽ x ⩽ 2) studied by x-ray absorption spectroscopy Karnatak, R. C. Journal of Alloys and Compounds, Vol. 192, Issue 1-2 https://doi.org/10.1016/0925-8388(93)90187-R	journal	February 1993
Spectrum analysis of U 3+ :LaCl 3 Crosswhite, H. M.; Crosswhite, H.; Carnall, W. T. The Journal of Chemical Physics, Vol. 72, Issue 9 https://doi.org/10.1063/1.439742	journal	May 1980
Magnetic relaxation pathways in lanthanide single-molecule magnets Blagg, Robin J.; Ungur, Liviu; Tuna, Floriana Nature Chemistry, Vol. 5, Issue 8 https://doi.org/10.1038/nchem.1707	journal	July 2013
A High Anisotropy Barrier in a Sulfur-Bridged Organodysprosium Single-Molecule Magnet Tuna, Floriana; Smith, Charlene A.; Bodensteiner, Michael Angewandte Chemie International Edition, Vol. 51, Issue 28 https://doi.org/10.1002/anie.201202497	journal	June 2012
The enthalpies of formation of lanthanide compounds Cordfunke, E. H. P.; Konings, R. J. M. Thermochimica Acta, Vol. 375, Issue 1-2 https://doi.org/10.1016/S0040-6031(01)00510-X	journal	July 2001

Similar Records

The duality of electron localization and covalency in lanthanide and actinide metallocenes

Journal Article · Wed Jan 01 00:00:00 EST 2020 · Chemical Science · OSTI ID:1378729

Smiles, Danil E.; Batista, Enrique R.; Booth, Corwin H.; +8 more

Quantitative Evidence for Lanthanide-Oxygen Orbital Mixing in CeO₂, PrO₂, and TbO₂

Journal Article · Tue Nov 28 00:00:00 EST 2017 · Journal of the American Chemical Society · OSTI ID:1378729

Minasian, Stefan G.; Batista, Enrique R.; Booth, Corwin H.; +9 more

Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules

Journal Article · Fri Nov 08 00:00:00 EST 2019 · Accounts of Chemical Research · OSTI ID:1378729

Mason, Jarrett L.; Harb, Hassan; Topolski, Josey E.; +2 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Title: Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy

Citation Formats

References (163)

Similar Records

Related Subjects