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Themed collection Dalton Discussion 14: Advancing the chemistry of the f-elements

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Editorial

Dalton Discussion 14 – Advancing the chemistry of the f-elements, 28–30 July 2014, Edinburgh

Welcome to this Dalton Transactions themed issue including papers from Dalton Discussion 14 – Advancing the chemistry of the f-elements.

Graphical abstract: Dalton Discussion 14 – Advancing the chemistry of the f-elements, 28–30 July 2014, Edinburgh
Perspective

Actinide-based single-molecule magnets

Actinide single-molecule magnets compose a small yet complex consortium, presenting new design and characterization challenges for magnetochemists and physicists.

Graphical abstract: Actinide-based single-molecule magnets
Open Access Paper

Influence of riboflavin on the reduction of radionuclides by Shewanella oneidenis MR-1

Uranium (as UO22+), technetium (as TcO4) and neptunium (as NpO2+) are highly mobile radionuclides that can be reduced enzymatically by a range of anaerobic and facultatively anaerobic microorganisms, including Shewanella oneidensis MR-1, to poorly soluble species. Riboflavin is secreted by this organism and can accelerate radionuclide bioreduction.

Graphical abstract: Influence of riboflavin on the reduction of radionuclides by Shewanella oneidenis MR-1
Paper

Radical anionic versus neutral 2,2′-bipyridyl coordination in uranium complexes supported by amide and ketimide ligands

A series of 2,2′-bipyridyl uranium complexes shows that bipy is found as a radical anion or a neutral ligand such that uranium is in the +4 oxidation state.

Graphical abstract: Radical anionic versus neutral 2,2′-bipyridyl coordination in uranium complexes supported by amide and ketimide ligands
Paper

A self-assembling lanthanide molecular nanoparticle for optical imaging

The structure and photophysical properties of the nano-drum [Eu8Cd24L12(OAc)48] are described as well as imaging capabilities using commercial microscopy platforms.

Graphical abstract: A self-assembling lanthanide molecular nanoparticle for optical imaging
Paper

The selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation – a theoretical approach

Charge transfer from the ligand to valence hybrid (mainly d) metal orbitals nearly equally stabilizes cationic EuIII and AmIII TODGA complexes.

Graphical abstract: The selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation – a theoretical approach
Open Access Paper

Uranyl extraction by N,N-dialkylamide ligands studied using static and dynamic DFT simulations

DFT/MM-MD simulations highlight the structure and dynamics of mixed uranyl/nitrato/monoamides (L) complexes at an “oil”/water interface.

Graphical abstract: Uranyl extraction by N,N-dialkylamide ligands studied using static and dynamic DFT simulations
Paper

Coordination polymers of uranium(IV) terephthalates

A series of tetravalent uranium terephthalates has been solvothermally synthesized in the solvent N,N-dimethylformamide (DMF) at temperature 100–150 °C with different water amounts.

Graphical abstract: Coordination polymers of uranium(iv) terephthalates
Open Access Paper

Spectroscopic study on uranyl carboxylate complexes formed at the surface layer of Sulfolobus acidocaldarius

The complexation of U(VI) at the proteinaceous surface layer (S-layer) of the archaeal strain Sulfolobus acidocaldarius was investigated at the molecular scale using TRLFS and EXAFS spectroscopy.

Graphical abstract: Spectroscopic study on uranyl carboxylate complexes formed at the surface layer of Sulfolobus acidocaldarius
Paper

CS2 activation at uranium(III) siloxide ate complexes: the effect of a Lewis acidic site

Multimetallic cooperativity plays an important role in U(III) mediated CS2 reduction: the reductive dimerization of CS2 occurs preferentially at a heterodimetallic U, K complex while the reductive disproportionation pathway is favoured by the “ate” complex [K(18c6)][U(OSi(OtBu)3)4].

Graphical abstract: CS2 activation at uranium(iii) siloxide ate complexes: the effect of a Lewis acidic site
Paper

Density functional theory investigation of the layered uranium oxides U3O8 and U2O5

New predictions of structural, electronic and mechanical properties of layered uranium oxides using DFT + U calculations.

Graphical abstract: Density functional theory investigation of the layered uranium oxides U3O8 and U2O5
Paper

Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion

An unprecedented molecular [ErN9] chromophore emits simultaneous dual green (542 nm) and near-infrared (1540 nm) light upon indirect excitation.

Graphical abstract: Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion
Paper

Synchrotron applications to f-element research in the nuclear fuel cycle

A summary of innovative techniques using synchrotron radiation for actinide studies in nuclear research, including X-ray spectroscopy and imaging.

Graphical abstract: Synchrotron applications to f-element research in the nuclear fuel cycle
Paper

Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity

The synthesis of thorium complexes of the type Th(COTTIPS2)Cp*X (X = Cl, I, CH2Ph, H) and their reactivity towards CO2, including reductive coupling to form an oxalate complex, are reported.

Graphical abstract: Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity
Paper

Synthesis and characterisation of lanthanide-hydroporphyrin dyads

Hydroporphyrin-linked lanthanide complexes with variations in tetrapyrrole structure, linker length and mode of attachment are reported.

Graphical abstract: Synthesis and characterisation of lanthanide-hydroporphyrin dyads
Paper

Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials

Structural characterization of U(VI) : (Al(III), Fe(III)) : citrate complexes provides insight into the formation of polynuclear clusters present in environmentally-relevant aqueous solutions.

Graphical abstract: Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials
Paper

Can a pentamethylcyclopentadienyl ligand act as a proton-relay in f-element chemistry? Insights from a joint experimental/theoretical study

Isomerisation of buta-1,2-diene to but-2-yne by (Me5C5)2Yb is a thermodynamically favourable reaction, with the ΔrG° estimated from experimental data at 298 K to be −3.0 kcal mol−1.

Graphical abstract: Can a pentamethylcyclopentadienyl ligand act as a proton-relay in f-element chemistry? Insights from a joint experimental/theoretical study
Paper

Sonochemical redox reactions of Pu(III) and Pu(IV) in aqueous nitric solutions

The 20 kHz sonication of aqueous nitric solutions generates active species which can further react with Pu(IV) and Pu(III) ions.

Graphical abstract: Sonochemical redox reactions of Pu(iii) and Pu(iv) in aqueous nitric solutions
Open Access Paper

The strength of actinide–element bonds from the quantum theory of atoms-in-molecules

Excellent correlation is found between standard QTAIM metrics and An–N bond lengths, and with N–N bond lengths and vibrational frequencies, but much poorer correlations exist with An–N and An–O interaction energies. Superior correlations are found between interaction energies and the change in the QTAIM charge on compound formation.

Graphical abstract: The strength of actinide–element bonds from the quantum theory of atoms-in-molecules
Paper

Stabilization of MIV = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand

We report M(IV) M = Ti, Zr, Hf, Ce, and Th, complexes of a selenium bis(phenolate) ligand, 2,2′-selenobis(4,6-di-tert-butylphenol), (H2ArOSeO).

Graphical abstract: Stabilization of MIV = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand
20 items

About this collection

This themed issue aims to highlight the burgeoning role and exciting prospects for f-elements in modern, metal-based chemistry.

It is associated with the Dalton Discussion 14 meeting which was held in Edinburgh in July 2014 and is guest edited by Dr Jason Love (University of Edinburgh).

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