New evidence for 5f covalency in actinocenes determined from carbon K-edge XAS and electronic structure theory

Bent thorocene complexes with the cyanide, azide and hydride ligands

(2013) Alexandre Hervé et al.   CHEMICAL COMMUNICATIONS

Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study

(2013) Andrew Kerridge   DALTON TRANSACTIONS

Diniobium Inverted Sandwich Complexes with μ-η6:η6-Arene Ligands: Synthesis, Kinetics of Formation, and Electronic Structure

(2013) Thomas L. Gianetti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revisiting the Chemistry of the Actinocenes [(η8-C8H8)2An] (An = U, Th) with Neutral Lewis Bases. Access to the Bent Sandwich Complexes [(η8-C8H8)2An(L)] with Thorium (L = py, 4,4′-bipy, tBuNC, R4phen)

(2013) Jean-Claude Berthet et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Covalency in Metal–Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory

(2013) Stefan G. Minasian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carbon K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory Examination of Metal–Carbon Bonding in Metallocene Dichlorides

(2013) Stefan G. Minasian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes

(2013) Bess Vlaisavljevich et al.   ORGANOMETALLICS

Siloxides as Supporting Ligands in Uranium(III)-Mediated Small-Molecule Activation

(2012) Victor Mougel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Covalency in f-element complexes

(2012) Michael L. Neidig et al.   COORDINATION CHEMISTRY REVIEWS

μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge

(2012) Paula L. Diaconescu et al.   INORGANIC CHEMISTRY

Sulfur K-edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory of Dithiophosphinate Extractants: Minor Actinide Selectivity and Electronic Structure Correlations

(2012) Scott R. Daly et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl62– (M = Ti, Zr, Hf, U) and UOCl5– Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory

(2012) Stefan G. Minasian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Spontaneous reduction and C–H borylation of arenes mediated by uranium(III) disproportionation

(2012) Polly L. Arnold et al.   Nature Chemistry

A Formal High Oxidation State Inverse-Sandwich Diuranium Complex: A New Route to f-Block-Metal Bonds

(2011) Dipti Patel et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molecular quadrangle formation from a diuranium μ-η6,η6-toluene complex

(2011) Marisa J. Monreal et al.   CHEMICAL COMMUNICATIONS

Pentavalent and Tetravalent Uranium Selenides, Tl3Cu4USe6and Tl2Ag2USe4: Syntheses, Characterization, and Structural Comparison to Other Layered Actinide Chalcogenide Compounds

(2011) Daniel E. Bugaris et al.   INORGANIC CHEMISTRY

Core and shallow-cored- tof-shell excitations in rare-earth metals

(2011) J. A. Bradley et al.   PHYSICAL REVIEW B

Does covalency really increase across the 5f series? A comparison of molecular orbital, natural population, spin and electron density analyses of AnCp3(An = Th–Cm; Cp = η5-C5H5)

(2010) Ian Kirker et al.   DALTON TRANSACTIONS

K-shell core-electron binding energies for phosphorus- and sulfur-containing molecules calculated by density functional theory

(2010) Maximiliano Segala et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Experimental and Theoretical Comparison of the O K-Edge Nonresonant Inelastic X-ray Scattering and X-ray Absorption Spectra of NaReO4

(2010) Joseph A. Bradley et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Investigating the electronic structure and bonding in uranyl compounds by combining NEXAFS spectroscopy and quantum chemistry

(2010) Clara Fillaux et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Are the Ground States of the Later Actinocenes Multiconfigurational? All-Electron Spin−Orbit Coupled CASPT2 Calculations on An(η8-C8H8)2(An = Th, U, Pu, Cm)

(2009) Andrew Kerridge et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Is Cerocene Really a Ce(III) Compound? All-Electron Spin−Orbit Coupled CASPT2 Calculations on M(η8-C8H8)2(M = Th, Pa, Ce)

(2009) Andrew Kerridge et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Comparison of 4f vs5fMetal−Metal Bonds in (CpSiMe3)3M−ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure

(2009) Stefan G. Minasian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of Heteroleptic Uranium (μ−η6:η6-C6H6)2−Sandwich Complexes via Facile Displacement of (η5-C5Me5)1−by Ligands of Lower Hapticity and Their Conversion to Heteroleptic Bis(imido) Compounds

(2009) William J. Evans et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2009) Stosh A. Kozimor et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nature of the5fstates in actinide metals

(2009) Kevin T. Moore et al.   REVIEWS OF MODERN PHYSICS

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS