All Outputs (168)

Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes (2014)
Journal Article
Funk, A., Finney, K., Harvey, P., Kenwright, A., Neil, E., Rogers, N., …Parker, D. (2014). Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes. Chemical Science, 6(3), 1655-1662. https://doi.org/10.1039/c4sc03429e

The origins of the breakdown of Bleaney's theory of magnetic anisotropy are described, based on an analysis of eleven different complexes of the second half of the 4f elements that form isostructural series. An examination of the chemical shift and r... Read More about Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes.

Multihydroxyl End Functional Polyethylenes: Synthesis, Bulk and Interfacial Properties of Polymer Surfactants (2014)
Journal Article
Kimani, S., Thompson, R., Hutchings, L., Clarke, N., Billah, S., Sakai, V., & Rogers, S. (2014). Multihydroxyl End Functional Polyethylenes: Synthesis, Bulk and Interfacial Properties of Polymer Surfactants. Macromolecules, 47(6), 2062-2071. https://doi.org/10.1021/ma402158b

Multihydroxyl end functional polyethylenes have been prepared with controlled molecular weight, microstructure, and functionalization. These materials, designed as interfacially active blend additives for polar interfaces, are thermally stable up to... Read More about Multihydroxyl End Functional Polyethylenes: Synthesis, Bulk and Interfacial Properties of Polymer Surfactants.

N-alkyl pyrrolidone ether podands as versatile alkali metal ion chelants (2014)
Journal Article
Perrin, A., Myers, D., Fucke, K., Musa, O. M., & Steed, J. W. (2014). N-alkyl pyrrolidone ether podands as versatile alkali metal ion chelants. Dalton Transactions, 43(8), 3153-3161. https://doi.org/10.1039/c3dt53001a

This work explores the coordination chemistry of a bis(pyrrolidone) ether ligand. Pyrrolidones are commercially important functional groups because of the high polarity and hence high hydrophilicity and surface affinity. An array of alkali metal ion... Read More about N-alkyl pyrrolidone ether podands as versatile alkali metal ion chelants.

On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules (2014)
Journal Article
Weber, L., Halama, J., Hanke, K., Böhling, L., Brockhinke, A., Stammler, H., …Fox, M. (2014). On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules. Dalton Transactions, 43(8), 3347-3363. https://doi.org/10.1039/c3dt52836g

A series of 1,3-bis(perfluoroaryl)-2-(hetero)aryl-1,3,2-benzodiazaboroles, 1,3-FAr2-2-Ar-1,3,2-N2BC6H4 (Ar = Ph, FAr = C6F5 5; Ar = Ph, FAr = 4-C5F4N 6; Ar = Ph, FAr = 4-NCC6F4 7; Ar = 2-C4H3S, FAr = C6F5 8; Ar = 2-C4H3S, FAr = 4-C5F4N 9; Ar = 2-C4H3... Read More about On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.

Crystal structures of the carborane dianions, [1,4-(PhCB10H10C)2C6H4]2- and [1,4-(PhCB10H10C)2C6F4]2-, and the stabilizing role of the para-phenylene unit on unusual 2n+3 SE clusters (2014)
Journal Article
Kahlert, J., Stammler, H., Neumann, B., Harder, R., Weber, L., & Fox, M. (2014). Crystal structures of the carborane dianions, [1,4-(PhCB10H10C)2C6H4]2- and [1,4-(PhCB10H10C)2C6F4]2-, and the stabilizing role of the para-phenylene unit on unusual 2n+3 SE clusters. Angewandte Chemie International Edition, 53(14), 3702-3705. https://doi.org/10.1002/anie.201310718

While carboranes with 2 n+2 and 2 n+4 (n=number of skeletal atoms) skeletal electrons (SE) are widely known, little has been reported on carboranes with odd SE numbers. Electrochemical measurements on two-cage assemblies, where two C-phenyl-ortho-car... Read More about Crystal structures of the carborane dianions, [1,4-(PhCB10H10C)2C6H4]2- and [1,4-(PhCB10H10C)2C6F4]2-, and the stabilizing role of the para-phenylene unit on unusual 2n+3 SE clusters.

Regiospecific Formation and Unusual Optical Properties of 2,5-Bis(arylethynyl)rhodacyclopentadienes: A New Class of Luminescent Organometallics (2014)
Journal Article
Steffen, A., Ward, R., Tay, M., Edkins, R., Seeler, F., van Leeuwen, M., …Marder, T. (2014). Regiospecific Formation and Unusual Optical Properties of 2,5-Bis(arylethynyl)rhodacyclopentadienes: A New Class of Luminescent Organometallics. Chemistry - A European Journal, 20(3), 3652-3666. https://doi.org/10.1002/chem.201304068

A series of 2,5-bis(arylethynyl)rhodacyclopentadienes has been prepared by a rare example of regiospecific reductive coupling of 1,4-(p-R-phenyl)-1,3-butadiynes (R[DOUBLE BOND]H, Me, OMe, SMe, NMe2, CF3, CO2Me, CN, NO2, −C[TRIPLE BOND]C-(p-C6H4[BOND]... Read More about Regiospecific Formation and Unusual Optical Properties of 2,5-Bis(arylethynyl)rhodacyclopentadienes: A New Class of Luminescent Organometallics.

Utility of tris(4-bromopyridyl) europium complexes as versatile intermediates in the divergent synthesis of emissive chiral probes (2014)
Journal Article
Butler, S. J., Delbianco, M., Evans, N. H., Frawley, A. T., Pal, R., Parker, D., …Yufit, D. S. (2014). Utility of tris(4-bromopyridyl) europium complexes as versatile intermediates in the divergent synthesis of emissive chiral probes. Dalton Transactions, 43(15), 5721-5730. https://doi.org/10.1039/c4dt00253a

The synthetic utility of europium complexes with three coordinated 4-bromopyridyl groups for chromophore elaboration has been assessed in palladium-catalysed Sonogashira coupling reactions, and in copper(I) mediated click reactions of the triazide de... Read More about Utility of tris(4-bromopyridyl) europium complexes as versatile intermediates in the divergent synthesis of emissive chiral probes.

Supramolecular assembly in a Janus-type urea system (2014)
Journal Article
Lloyd, G. O., & Steed, J. W. (2014). Supramolecular assembly in a Janus-type urea system. Chemical Communications, 50(12), 1426-1428. https://doi.org/10.1039/c3cc48603f

A pyrazolyl urea ligand adopts two possible conformations with the urea NH groups directed either outward or inward. Metal coordination enforces the outward conformation resulting in either anion complexation or self-association and hence extended su... Read More about Supramolecular assembly in a Janus-type urea system.

Mapping the Ultrafast Dynamics of Adenine onto Its Nucleotide and Oligonucleotides by Time-Resolved Photoelectron Imaging (2014)
Journal Article
Chatterley, A., West, C., Roberts, G., Stavros, V., & Verlet, J. (2014). Mapping the Ultrafast Dynamics of Adenine onto Its Nucleotide and Oligonucleotides by Time-Resolved Photoelectron Imaging. Journal of Physical Chemistry Letters, 5(5), 843-848. https://doi.org/10.1021/jz500264c

The intrinsic photophysics of nucleobases and nucleotides following UV absorption presents a key reductionist step toward understanding the complex photodamage mechanisms occurring in DNA. The decay mechanism of adenine in particular has been the foc... Read More about Mapping the Ultrafast Dynamics of Adenine onto Its Nucleotide and Oligonucleotides by Time-Resolved Photoelectron Imaging.

A study of planar anchor groups for graphene-based single-molecule electronics (2014)
Journal Article
Bailey, S., Visontai, D., Lambert, C. J., Bryce, M. R., Frampton, H., & Chappell, D. (2014). A study of planar anchor groups for graphene-based single-molecule electronics. The Journal of Chemical Physics, 140(5), Article 054708. https://doi.org/10.1063/1.4861941

To identify families of stable planar anchor groups for use in single molecule electronics, we report detailed results for the binding energies of two families of anthracene and pyrene derivatives adsorbed onto graphene. We find that all the selected... Read More about A study of planar anchor groups for graphene-based single-molecule electronics.

Asymmetric metal free β-boration of α,β-unsaturated imines assisted by (S)-MeBoPhoz (2014)
Journal Article
La Cascia, E., Sanz, X., Bo, C., Whiting, A., & Fernandez, E. (2014). Asymmetric metal free β-boration of α,β-unsaturated imines assisted by (S)-MeBoPhoz. Organic and Biomolecular Chemistry, 13(5), 1328-1332. https://doi.org/10.1039/c4ob02478h

The adduct [MeO → Bpin–Bpin]− efficiently mediates the β-boration of α,β-unsaturated imines formed in situ. The use of chiral phosphines as additives, and in particular the chiral phosphine (S)-MeBoPhoz, enables the catalytic asymmetric reaction to p... Read More about Asymmetric metal free β-boration of α,β-unsaturated imines assisted by (S)-MeBoPhoz.

Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties (2014)
Journal Article
Harriss, B. I., Vella-Zarb, L., Wilson, C., & Radosavljevic Evans, I. (2014). Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties. Crystal Growth and Design, 14(2), 783-791. https://doi.org/10.1021/cg401662d

Four new crystal structures of pharmaceutical molecule furosemide with GRAS coformers are reported and correlated with the known pharmacologically relevant properties of these materials. Furosemide carboxylic acid oxygen donor−coformer aromatic nitro... Read More about Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties.

Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers. (2014)
Journal Article
Mathew, S., Yella, A., Gao, P., Humphry-Baker, R., Curchod, B. F., Ashari-Astani, N., …Graetzel, M. (2014). Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers. Nature Chemistry, 6(3), 242-247. https://doi.org/10.1038/nchem.1861

Dye-sensitized solar cells have gained widespread attention in recent years because of their low production costs, ease of fabrication and tunable optical properties, such as colour and transparency. Here, we report a molecularly engineered porphyrin... Read More about Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers..

Characterisation and evaluation of paramagnetic fluorine labelled glycol chitosan conjugates for 19F and 1H magnetic resonance imaging (2014)
Journal Article
De Luca, E., Harvey, P., Chalmers, K. H., Mishra, A. P., Senanayake, K., Wilson, J. I., …Parker, D. (2014). Characterisation and evaluation of paramagnetic fluorine labelled glycol chitosan conjugates for 19F and 1H magnetic resonance imaging. JBIC Journal of Biological Inorganic Chemistry, 19(2), 215-227. https://doi.org/10.1007/s00775-013-1028-y

Medium molecular weight glycol chitosan conjugates have been prepared, linked by an amide bond to paramagnetic Gd(III), Ho(III) and Dy(III) macrocyclic complexes in which a trifluoromethyl reporter group is located 6.5 Å from the paramagnetic centre.... Read More about Characterisation and evaluation of paramagnetic fluorine labelled glycol chitosan conjugates for 19F and 1H magnetic resonance imaging.

Total Internal Reflection Spectroscopy for Studying Soft Matter (2014)
Journal Article
Woods, D. A., & Bain, C. D. (2014). Total Internal Reflection Spectroscopy for Studying Soft Matter. Soft Matter, 10(8), 1071-1096. https://doi.org/10.1039/c3sm52817k

Total internal reflection (TIR) spectroscopy is a widely used technique to study soft matter at interfaces. This tutorial review aims to provide researchers with an overview of the principles, experimental design and applications of TIR spectroscopy... Read More about Total Internal Reflection Spectroscopy for Studying Soft Matter.

Emissive europium complexes that stain the cell walls of healthy plant cells, pollen tubes and roots (2014)
Journal Article
Palmer, A. J., Ford, S. H., Butler, S. J., Hawkins, T. J., Hussey, P. J., Pal, R., …Parker, D. (2014). Emissive europium complexes that stain the cell walls of healthy plant cells, pollen tubes and roots. RSC Advances, 4(18), 9356-9366. https://doi.org/10.1039/c3ra45426f

The cell-staining behaviour of a set of five emissive europium complexes has been studied in Nicotiana tabacum BY-2 cells and pollen tubes, Nicotiana benthamiana plant leaves and in the root hairs of the wild-type plant Arabidopsis thaliana (Columbia... Read More about Emissive europium complexes that stain the cell walls of healthy plant cells, pollen tubes and roots.

Is the phosphaethynolate anion, (OCP)-, an ambident nucleophile? A spectroscopic and computational study. (2014)
Journal Article
Heift, D., Benkő, Z., & Grützmacher, H. (2014). Is the phosphaethynolate anion, (OCP)-, an ambident nucleophile? A spectroscopic and computational study. Dalton Transactions, 43(15), 5920-5928. https://doi.org/10.1039/c3dt53569j

The reactivity of Na(OCP) was investigated towards triorganyl compounds of the heavier group 14 elements (R3EX R = Ph or iPr; E = Si, Ge, Sn, Pb; X = Cl, OTf). In the case of E = Si two constitutional isomers were formed and characterised in situ: R3... Read More about Is the phosphaethynolate anion, (OCP)-, an ambident nucleophile? A spectroscopic and computational study..

EuroTracker dyes: highly emissive europium complexes as alternative organelle stains for live cell imaging (2014)
Journal Article
Butler, S. J., Lamarque, L., Pal, R., & Parker, D. (2014). EuroTracker dyes: highly emissive europium complexes as alternative organelle stains for live cell imaging. Chemical Science, 2014(5), 1750-1756. https://doi.org/10.1039/c3sc53056f

Nine very bright europium(III) complexes with different macrocyclic ligands have been prepared that exhibit excellent cell uptake behaviour and distinctive sub-cellular localisation profiles, allowing the use of fluorescence microscopy and time-gated... Read More about EuroTracker dyes: highly emissive europium complexes as alternative organelle stains for live cell imaging.

Recent developments in the application of nanomaterials to understanding molecular level processes in cobalt catalysed Fischer-Tropsch synthesis (2014)
Journal Article
Beaumont, S. K. (2014). Recent developments in the application of nanomaterials to understanding molecular level processes in cobalt catalysed Fischer-Tropsch synthesis. Physical Chemistry Chemical Physics, 16(11), 5034-5043. https://doi.org/10.1039/c3cp55030c

This perspective offers an overview of using nanomaterials for understanding cobalt catalysed Fischer–Tropsch chemistry. Nanomaterials now afford unprecedented control of size, shape and structure at the nanometre scale. This makes them invaluable to... Read More about Recent developments in the application of nanomaterials to understanding molecular level processes in cobalt catalysed Fischer-Tropsch synthesis.

Effects of Quantum Nuclear Delocalisation on NMR Parameters from Path Integral Molecular Dynamics (2014)
Journal Article
Dračínský, M., & Hodgkinson, P. (2014). Effects of Quantum Nuclear Delocalisation on NMR Parameters from Path Integral Molecular Dynamics. Chemistry - A European Journal, 20(8), 2201-2207. https://doi.org/10.1002/chem.201303496

The influence of nuclear delocalisation on NMR chemical shifts in molecular organic solids is explored using path integral molecular dynamics (PIMD) and density functional theory calculations of shielding tensors. Nuclear quantum effects are shown to... Read More about Effects of Quantum Nuclear Delocalisation on NMR Parameters from Path Integral Molecular Dynamics.