Actinide selectivity of 1,10-phenanthroline-2,9-dicarboxamide and its derivatives: a theoretical prediction followed by experimental validation

Do QTAIM metrics correlate with the strength of heavy element–ligand bonds?

(2013) Abigail R. E. Mountain et al.   DALTON TRANSACTIONS

2,9-Dicarbonyl-1,10-phenanthroline derivatives with an unprecedented Am(iii)/Eu(iii) selectivity under highly acidic conditions

(2013) Michele Galletta et al.   DALTON TRANSACTIONS

Hydration Properties and Ionic Radii of Actinide(III) Ions in Aqueous Solution

(2013) Paola D’Angelo et al.   INORGANIC CHEMISTRY

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

(2013) Matthew B. Jones et al.   Chemical Science

Theoretical insights into covalency driven f element separations

(2012) Lindsay E. Roy et al.   DALTON TRANSACTIONS

Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of AnIV(Aracnac)4 Complexes (An = Th, U, Np, Pu; Aracnac = ArNC(Ph)CHC(Ph)O; Ar = 3,5-tBu2C6H3)

(2012) David D. Schnaars et al.   INORGANIC CHEMISTRY

Complexation of Am(III) and Nd(III) by 1,10-Phenanthroline-2,9-Dicarboxylic Acid

(2012) Mark D. Ogden et al.   JOURNAL OF SOLUTION CHEMISTRY

Complexation behavior of trivalent actinides and lanthanides with 1,10-phenanthroline-2,9-dicarboxylic acid based ligands: insight from density functional theory

(2012) Debashree Manna et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Selective Americium(III) Complexation by Dithiophosphinates: A Density Functional Theoretical Validation for Covalent Interactions Responsible for Unusual Separation Behavior from Trivalent Lanthanides

(2011) Arunasis Bhattacharyya et al.   INORGANIC CHEMISTRY

Revised Ionic Radii of Lanthanoid(III) Ions in Aqueous Solution

(2011) Paola D’Angelo et al.   INORGANIC CHEMISTRY

Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc−B, Y−B, and Lu−B σ-Coordinated NHC Analogues

(2011) Liban M. A. Saleh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Efficient Separation of Actinides from Lanthanides by a Phenanthroline-Derived Bis-triazine Ligand

(2011) Frank W. Lewis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Heterobimetallic Complexes Containing Ca–Fe or Yb–Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2(M = Ca or Yb)

(2011) Matthew P. Blake et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Small Molecule Activation by Uranium Tris(aryloxides): Experimental and Computational Studies of Binding of N2, Coupling of CO, and Deoxygenation Insertion of CO2under Ambient Conditions

(2011) Stephen M. Mansell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal ion selectivities of the highly preorganized tetradentate ligand 1,10-phenanthroline-2,9-dicarboxamide with lanthanide(III) ions and some actinide ions

(2011) Danielle Merrill et al.   RADIOCHIMICA ACTA

Covalency in CeIV and UIV Halide and N-Heterocyclic Carbene Bonds

(2010) Polly L. Arnold et al.   CHEMISTRY-A EUROPEAN JOURNAL

Covalency in AnCp4 (An = Th–Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analyses

(2010) Matthew J. Tassell et al.   DALTON TRANSACTIONS

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

First-Principles Study of the Separation of AmIII/CmIIIfrom EuIIIwith Cyanex301

(2010) Xiaoyan Cao et al.   INORGANIC CHEMISTRY

Complexes of the highly preorganized ligand PDALC (2,9-bis(hydroxymethyl)-1,10-phenanthroline) with trivalent lanthanides. A thermodynamic and crystallographic study

(2010) Neil J. Williams et al.   INORGANICA CHIMICA ACTA

A high performance grid-based algorithm for computing QTAIM properties

(2009) Juan I. Rodríguez et al.   CHEMICAL PHYSICS LETTERS

Complexation of Metal Ions of Higher Charge by the Highly Preorganized Tetradentate Ligand 2,9-Bis(hydroxymethyl)-1,10-Phenanthroline. A Crystallographic and Thermodynamic Study

(2009) Raymond T. Gephart et al.   INORGANIC CHEMISTRY

Complexation and Separation of Lanthanides(III) and Actinides(III) by Heterocyclic N-Donors in Solutions

(2008) Zdenek Kolarik   CHEMICAL REVIEWS

Metal Ion Complexing Properties of the Highly Preorganized Ligand 2,9-bis(Hydroxymethyl)-1,10-phenanthroline: A Crystallographic and Thermodynamic Study

(2008) Raymond T. Gephart et al.   INORGANIC CHEMISTRY

Comparison of Two Tetrapodal N,O Ligands: Impact of the Softness of the Heterocyclic N-Donors Pyridine and Pyrazine on the Selectivity for Am(III) over Eu(III)

(2008) Marie Heitzmann et al.   INORGANIC CHEMISTRY

An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces

(2008) Juan I. Rodríguez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY