All Outputs (164)

Probing the electronic environment of binary and ternary ionic liquid mixtures by x-ray photoelectron spectroscopy (2017)
Journal Article
Men, S., & Licence, P. (2017). Probing the electronic environment of binary and ternary ionic liquid mixtures by x-ray photoelectron spectroscopy. Chemical Physics Letters, 686, https://doi.org/10.1016/j.cplett.2017.08.034

X-ray photoelectron spectroscopy is used to probe the electronic environment of cations and anions for three binary and one ternary chlorostannate ionic liquid mixtures. The impact of the weighting of Cl on the electronic environment of the cation-b... Read More about Probing the electronic environment of binary and ternary ionic liquid mixtures by x-ray photoelectron spectroscopy.

Efficient synthesis of 2,5-dicarbonyl derivatives of 3,4-ethylenedithiothiophene (EDTT) via addition-elimination reaction (2017)
Journal Article
Al-jumaili, M. A., & Woodward, S. (2017). Efficient synthesis of 2,5-dicarbonyl derivatives of 3,4-ethylenedithiothiophene (EDTT) via addition-elimination reaction. Tetrahedron, 73(40), https://doi.org/10.1016/j.tet.2017.08.026

Derivatives of 3,4-ethylenedithiothiophene (EDTT) are reported starting from tetrabromothiophene. Selective 2,5-dilithiation followed by reaction with a range of aldehydes gives diols as mixtures of diastereomers. Only the 2 and 5 positions in thioph... Read More about Efficient synthesis of 2,5-dicarbonyl derivatives of 3,4-ethylenedithiothiophene (EDTT) via addition-elimination reaction.

A Simple Approach to the Visible-Light Photoactivation of Molecular Metal Oxides (2017)
Journal Article
Fujimoto, S., Cameron, J. M., Wei, R. J., Kastner, K., Robinson, D., Sans, V., …Oshio, H. (2017). A Simple Approach to the Visible-Light Photoactivation of Molecular Metal Oxides. Inorganic Chemistry, 56(20), 12169-12177. https://doi.org/10.1021/acs.inorgchem.7b01499

© 2017 American Chemical Society. This study explores a new method to maximize the visible-light-driven photocatalytic performance of organic-inorganic hybrid polyoxometalates (POMs). Experimental and theoretical investigations of a family of phospho... Read More about A Simple Approach to the Visible-Light Photoactivation of Molecular Metal Oxides.

Covalent organic frameworks and organic cage structures (2017)
Journal Article
Banerjee, R., & Champness, N. R. (in press). Covalent organic frameworks and organic cage structures. CrystEngComm, 19, https://doi.org/10.1039/C7CE90115A

The last 20 years have seen an enormous interest in research on the topic of crystalline porous framework materials, especially metal–organic frameworks (MOFs). MOFs exploit reversible metal–coordination chemistry to create extended, crystalline soli... Read More about Covalent organic frameworks and organic cage structures.

Valorisation of lignin by depolymerisation and fractionation using supercritical fluids and conventional solvents (2017)
Journal Article
Perez, E., Tuck, C. O., & Poliakoff, M. (in press). Valorisation of lignin by depolymerisation and fractionation using supercritical fluids and conventional solvents. Journal of Supercritical Fluids, https://doi.org/10.1016/j.supflu.2017.07.033

A procedure for Lignosulphonate valorisation is investigated. An attempt has been made to obtain diverse value-added products maximizing the atom economy. This procedure is carried in sequential steps starting with an oxidative depolymerization in su... Read More about Valorisation of lignin by depolymerisation and fractionation using supercritical fluids and conventional solvents.

Electroanalysis of neutral precursors in protic ionic liquids and synthesis of high-ionicity ionic liquids (2017)
Journal Article
Sean, G., Daniel, S., Joshua, G., Jones, R., & Walsh, D. A. (in press). Electroanalysis of neutral precursors in protic ionic liquids and synthesis of high-ionicity ionic liquids. Langmuir, 33(34), https://doi.org/10.1021/acs.langmuir.7b02294

Protic ionic liquids (PILs) are ionic liquids that are formed by transferring protons from Brønsted acids to Brønsted bases. While they nominally consist entirely of ions, PILs can often behave as though they contain a significant amount of neutral... Read More about Electroanalysis of neutral precursors in protic ionic liquids and synthesis of high-ionicity ionic liquids.

Ci-Symmetry, [2 × 2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand: structure, catecholase activity, magnetic properties and DFT calculations (2017)
Journal Article
Parween, A., Naskar, S., Mota, A. J., Espinosa Ferao, A., Chattopadhyay, S. K., Rivière, E., …Naskar, S. (2017). Ci-Symmetry, [2 × 2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand: structure, catecholase activity, magnetic properties and DFT calculations. New Journal of Chemistry, 41(20), https://doi.org/10.1039/C7NJ01667K

A new square tetranuclear copper complex of formula Cu4(LH)4·4DMF with the dinucleating amide ligand N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide (LH3) is reported herein. This ligand and the complex have been characterized by elemental a... Read More about Ci-Symmetry, [2 × 2] grid, square copper complex with the N4,N5-bis(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide ligand: structure, catecholase activity, magnetic properties and DFT calculations.

Visible Light Production of Hydrogen by Ablated Graphene: Water Splitting or Carbon Gasification? (2017)
Journal Article
Fasciani, C., Lanterna, A. E., Giorgi, J. B., & Scaiano, J. C. (2017). Visible Light Production of Hydrogen by Ablated Graphene: Water Splitting or Carbon Gasification?. Journal of the American Chemical Society, 139(32), 11024-11027. https://doi.org/10.1021/jacs.7b06570

Reduced graphene oxide modified by pulsed laser ablation causes water splitting under visible light illumination (532 nm). When the light source is a pulsed laser, water splitting is accompanied by carbon gasification (CO formation); however, convent... Read More about Visible Light Production of Hydrogen by Ablated Graphene: Water Splitting or Carbon Gasification?.

Magnetic-field density-functional theory (BDFT): lessons from the adiabatic connection (2017)
Journal Article
Reimann, S., Borgoo, A., Tellgren, E. I., Teale, A. M., & Helgaker, T. (2017). Magnetic-field density-functional theory (BDFT): lessons from the adiabatic connection. Journal of Chemical Theory and Computation, 13(9), 4089-4100. https://doi.org/10.1021/acs.jctc.7b00295

We study the effects of magnetic fields in the context of magnetic field density-functional theory (BDFT), where the energy is a functional of the electron density p and the magnetic field B. We show that this approach is a worthwhile alternative to... Read More about Magnetic-field density-functional theory (BDFT): lessons from the adiabatic connection.

Structure determination techniques flex their muscles (2017)
Journal Article
Blake, A. J. (2017). Structure determination techniques flex their muscles. Angewandte Chemie International Edition, 56(39), 11697-11698. https://doi.org/10.1002/anie.201706526

A historical challenge: Gas-phase electron diffraction and single-crystal X-ray diffraction are both established techniques, but they were both pushed to their limits by the challenge posed by the highly flexible tetranitromethane molecule. New appro... Read More about Structure determination techniques flex their muscles.

A rechargeable lithium–oxygen battery with dual mediators stabilizing the carbon cathode (2017)
Journal Article
Gao, X., Chen, Y., Johnson, L. R., Jovanov, Z. P., & Bruce, P. G. (2017). A rechargeable lithium–oxygen battery with dual mediators stabilizing the carbon cathode. Nature Energy, 2, Article 17118. https://doi.org/10.1038/nenergy.2017.118

At the cathode of a Li–O2 battery, O2 is reduced to Li2O2 on discharge, the process being reversed on charge. Li2O2 is an insulating and insoluble solid, leading ultimately to low rates, low capacities and early cell death if formed on the cathode su... Read More about A rechargeable lithium–oxygen battery with dual mediators stabilizing the carbon cathode.

Asymmetric Synthesis of Pyrrolidine-Containing Chemical Scaffolds via Tsuji–Trost Allylation of N-tert-Butanesulfinyl Imines (2017)
Journal Article
Dawood, R. S., Georgiou, I., Wilkie, R. P., Lewis, W., & Stockman, R. A. (2017). Asymmetric Synthesis of Pyrrolidine-Containing Chemical Scaffolds via Tsuji–Trost Allylation of N-tert-Butanesulfinyl Imines. Chemistry - A European Journal, 23(46), 11153-11158. https://doi.org/10.1002/chem.201702616

© 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim A simple and efficient asymmetric synthesis of novel sp 3 -rich pyrrolidine chemical scaffolds over five steps starting from simple ketones is described. Key steps involve the use of tert-butanesul... Read More about Asymmetric Synthesis of Pyrrolidine-Containing Chemical Scaffolds via Tsuji–Trost Allylation of N-tert-Butanesulfinyl Imines.

Stabilization of angiotensin-(1-7) by key substitution with a cyclic non-natural amino acid (2017)
Journal Article
Wester, A., Devocelle, M., Tallant, E. A., Chappell, M. C., Gallagher, P. E., & Paradisi, F. (2017). Stabilization of angiotensin-(1-7) by key substitution with a cyclic non-natural amino acid. Amino Acids, 49(10), 1733-1742. https://doi.org/10.1007/s00726-017-2471-9

Angiotensin-(1-7) [Ang-(1-7)], a heptapeptide hormone of the renin-angiotensin-aldosterone system (RAAS), is a promising candidate as a treatment for cancer that reflects its antiproliferative and anti-angiogenic properties. However, the peptide’s th... Read More about Stabilization of angiotensin-(1-7) by key substitution with a cyclic non-natural amino acid.

Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays (2017)
Journal Article
Korolkov, V. V., Baldoni, M., Watanabe, K., Taniguchi, T., Besley, E., & Beton, P. H. (2017). Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays. Nature Chemistry, 9(12), 1191-1197. https://doi.org/10.1038/nchem.2824

© 2017 Macmillan Publishers Limited, part of Springer Nature. All rights reserved. Two-dimensional (2D) supramolecular arrays provide a route to the spatial control of the chemical functionality of a surface, but their deposition is in almost all cas... Read More about Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays.

Synthesis, crystal structures and magnetic properties of composites incorporating an Fe(II) spin crossover complex and polyoxometalates (2017)
Journal Article
Kuramochi, S., Shiga, T., Cameron, J. M., Newton, G. N., & Oshio, H. (2017). Synthesis, crystal structures and magnetic properties of composites incorporating an Fe(II) spin crossover complex and polyoxometalates. Inorganics, 5(3), Article 48. https://doi.org/10.3390/inorganics5030048

[Fe(dppOH)2]2+ (dppOH = 2,6-di(pyrazol-1-yl)-4-(hydroxymethyl)pyridine) is known to show spin crossover (SCO) behavior and light-induced excited spin state transitions (LIESST). Here, we show that the SCO properties of the [Fe(dppOH)2]2+ complex can... Read More about Synthesis, crystal structures and magnetic properties of composites incorporating an Fe(II) spin crossover complex and polyoxometalates.

Vibration-dependent photoelectron angular distributions and branching ratios observed across the Cooper-minimum region of bromobenzene (2017)
Journal Article
Powis, I., Patanen, M., Antonsson, E., Nicolas, C., Miron, C., & Holland, D. M. (2017). Vibration-dependent photoelectron angular distributions and branching ratios observed across the Cooper-minimum region of bromobenzene. Physical Review A, 96(1), Article 013413. https://doi.org/10.1103/PhysRevA.96.013413

Vibrational state-resolved photoelectron anisotropy parameters, beta, for the ~X 2B1, ~B 2B2, and ~C2B1 state ionizations of bromobenzene have been recorded at photon energies ranging from 20.5 to 94 eV, so spanning the region of the expected bromine... Read More about Vibration-dependent photoelectron angular distributions and branching ratios observed across the Cooper-minimum region of bromobenzene.

DNA binding and unwinding by Hel308 helicase requires dual functions of a winged helix domain (2017)
Journal Article
Northall, S. J., Buckley, R., Jones, N., Penedo, J. C., Soultanas, P., & Bolt, E. L. (2017). DNA binding and unwinding by Hel308 helicase requires dual functions of a winged helix domain. DNA Repair, 57, https://doi.org/10.1016/j.dnarep.2017.07.005

Hel308 helicases promote genome stability linked to DNA replication in archaea, and have homologues in metazoans. In the crystal structure of archaeal Hel308 bound to a tailed DNA duplex, core helicase domains encircle single-stranded DNA (ssDNA) in... Read More about DNA binding and unwinding by Hel308 helicase requires dual functions of a winged helix domain.

Growth of Carbon Nanotubes inside Boron Nitride Nanotubes by Coalescence of Fullerenes: Toward the World's Smallest Coaxial Cable (2017)
Journal Article
Walker, K. E., Rance, G. A., Pekker, Á., Tóháti, H. M., Fay, M. W., Lodge, R. W., …Khlobystov, A. N. (2017). Growth of Carbon Nanotubes inside Boron Nitride Nanotubes by Coalescence of Fullerenes: Toward the World's Smallest Coaxial Cable. Small Methods, 1(9), 1700184. https://doi.org/10.1002/smtd.201700184

The use of boron nitride nanotubes as effective nanoscale containers for the confinement and thermal transformations of molecules of C60-fullerene has been demonstrated. The gas-phase insertion of fullerenes into the internal channel of boron nitride... Read More about Growth of Carbon Nanotubes inside Boron Nitride Nanotubes by Coalescence of Fullerenes: Toward the World's Smallest Coaxial Cable.

Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy (2017)
Journal Article
Skowron, S. T., Chamberlain, T. W., Biskupek, J., Kaiser, U., Besley, E., & Khlobystov, A. N. (2017). Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy. Accounts of Chemical Research, 50(8), 1797-1807. https://doi.org/10.1021/acs.accounts.7b00078

The main objective of this Account is to assess the challenges of transmission electron microscopy (TEM) of molecules, based on over 15 years of our work in this field, and to outline the opportunities in studying chemical reactions under the electro... Read More about Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy.

Efficient calculation of molecular integrals over London atomic orbitals (2017)
Journal Article
Irons, T. J., Zemen, J., & Teale, A. M. (in press). Efficient calculation of molecular integrals over London atomic orbitals. Journal of Chemical Theory and Computation, https://doi.org/10.1021/acs.jctc.7b00540

The use of London atomic orbitals (LAOs) in a non-perturbative manner enables the determination of gauge-origin invariant energies and properties for molecular species in arbitrarily strong magnetic fields. Central to the efficient implementation of... Read More about Efficient calculation of molecular integrals over London atomic orbitals.