All Outputs (200)

Thiazole formation through a modified Gewald reaction (2015)
Journal Article
Mallia, C., Englert, L., Walter, G., & Baxendale, I. (2015). Thiazole formation through a modified Gewald reaction. Beilstein Journal of Organic Chemistry, 11, 875-883. https://doi.org/10.3762/bjoc.11.98

The synthesis of thiazoles and thiophenes starting from nitriles, via a modified Gewald reaction has been studied for a number of different substrates. 1,4-Dithiane-2,5-diol was used as the aldehyde precursor to give either 2-substituted thiazoles or... Read More about Thiazole formation through a modified Gewald reaction.

Understanding Thio-Effects in Simple Phosphoryl Systems: Role of Solvent Effects and Nucleophile Charge (2015)
Journal Article
Carvalho, A., O’Donoghue, A., Hodgson, D., & Kamerlin, S. (2015). Understanding Thio-Effects in Simple Phosphoryl Systems: Role of Solvent Effects and Nucleophile Charge. Organic and Biomolecular Chemistry, 13(19), 5391-5398. https://doi.org/10.1039/c5ob00309a

Recent experimental work (J. Org. Chem., 2012, 77, 5829) demonstrated pronounced differences in measured thio-effects for the hydrolysis of (thio)phosphodichloridates by water and hydroxide nucleophiles. In the present work, we have performed detaile... Read More about Understanding Thio-Effects in Simple Phosphoryl Systems: Role of Solvent Effects and Nucleophile Charge.

An artificial molecular pump (2015)
Journal Article
Cheng, C., McGonigal, P. R., Schneebeli, S. T., Li, H., Vermeulen, N. A., Ke, C., & Stoddart, J. F. (2015). An artificial molecular pump. Nature Nanotechnology, 10(6), 547-553. https://doi.org/10.1038/nnano.2015.96

Carrier proteins consume fuel in order to pump ions or molecules across cell membranes, creating concentration gradients. Their control over diffusion pathways, effected entirely through noncovalent bonding interactions, has inspired chemists to devi... Read More about An artificial molecular pump.

Multidirectional Synthesis of Substituted Indazoles via Iridium-Catalyzed C-H Borylation (2015)
Journal Article
Sadler, S., Hones, A., Roberts, B., Blakemore, D., Marder, T., & Steel, P. (2015). Multidirectional Synthesis of Substituted Indazoles via Iridium-Catalyzed C-H Borylation. Journal of Organic Chemistry, 80(10), 5308-5314. https://doi.org/10.1021/acs.joc.5b00452

In the absence of a steric directing group, iridium-catalyzed C–H borylation of N-protected indazoles occurs rapidly and selectively at C-3 and the resulting boronate esters can be utilized in a range of downstream conversions. The functional group t... Read More about Multidirectional Synthesis of Substituted Indazoles via Iridium-Catalyzed C-H Borylation.

One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives (2015)
Journal Article
Pujol, A., Calow, A., Batsanov, A., & Whiting, A. (2015). One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives. Organic and Biomolecular Chemistry, 13(18), 5122-5130. https://doi.org/10.1039/c4ob02657h

The β-borylation reaction of α,β-unsaturated aldehyde-derived imines, formed in situ, has been studied using a one-pot methodology, as a route to β-boryl aldehydes. The instability of the β-boryl aldehydes meant that a derivatisation process was requ... Read More about One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.

Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes (2015)
Journal Article
Davidson, R., Liang, J., Milan, D., Mao, B., Nichols, R., Higgins, S., …Low, P. (2015). Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes. Inorganic Chemistry, 54(11), 5487-5494. https://doi.org/10.1021/acs.inorgchem.5b00507

The ligands 4′-(4-(methylthio)phenyl)-2,2′:6′,2″-terpyridine (L1), 4′-((4-(methylthio)phenyl)ethynyl)- 2,2′:6′,2″-terpyridine (L2), and bis(tridentate) bridging ligand 2,3,5,6-tetra(pyridine-2-yl)pyrazine (tpp) were used to prepare the complexes [Ru(... Read More about Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes.

Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources (2015)
Journal Article
Heift, D., Benkő, Z., Grützmacher, H., Jupp, A., & Goicoechea, J. (2015). Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources. Chemical Science, 6(7), 4017-4024. https://doi.org/10.1039/c5sc00963d

We show that the 2-phosphaethynolate anion, OCP−, is a simple and efficient catalyst for the cyclotrimerization of isocyanates. This process proceeds step-wise and involves five-membered heterocycles, namely 1,4,2-diazaphospholidine-3,5-dionide anion... Read More about Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources.

Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems. (2015)
Journal Article
Prlj, A., Curchod, B. F., & Corminboeuf, C. (2015). Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems. Physical Chemistry Chemical Physics, 17(22), 14719-14730. https://doi.org/10.1039/c5cp01429h

The computational elucidation and proper description of the ultrafast deactivation mechanisms of simple organic electronic units, such as thiophene and its oligomers, is as challenging as it is contentious. A comprehensive excited state dynamics anal... Read More about Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems..

Applying green chemistry to the photochemical route to artemisinin (2015)
Journal Article
Amara, Z., Bellamy, J., Horvath, R., Miller, S., Beeby, A., Burgard, A., …George, M. (2015). Applying green chemistry to the photochemical route to artemisinin. Nature Chemistry, 7(6), 489-495. https://doi.org/10.1038/nchem.2261

Artemisinin is an important antimalarial drug, but, at present, the environmental and economic costs of its semi-synthetic production are relatively high. Most of these costs lie in the final chemical steps, which follow a complex acid- and photo-cat... Read More about Applying green chemistry to the photochemical route to artemisinin.

Graphene oxide nanocapsules within silanized hydrogels suitable for electrochemical pseudocapacitors (2015)
Journal Article
Kataky, R., Hadden, J., Coleman, K., Ntola, C., Chowdhury, M., Duckworth, A., …Shenton, F. (2015). Graphene oxide nanocapsules within silanized hydrogels suitable for electrochemical pseudocapacitors. Chemical Communications, 51(51), 10345-10348. https://doi.org/10.1039/c5cc00968e

Soft biocompatible gels comprised of rolled up graphene oxide nanocapsules within the pores of silanized hydrogels may be used as electrochemical pseudocapacitors with physiological glucose or KOH as a reducing agent, affording a material suitable fo... Read More about Graphene oxide nanocapsules within silanized hydrogels suitable for electrochemical pseudocapacitors.

Ethyl 2-hydroxy-2-phenyl-2-(thiazol-2-yl)acetate (2015)
Journal Article
Mallia, C., Englert, L., Walter, G., & Baxendale, I. (2015). Ethyl 2-hydroxy-2-phenyl-2-(thiazol-2-yl)acetate. Molbank, 2015(2), https://doi.org/10.3390/m857

This short note describes the synthesis of the title compound through spontaneous aerobic oxidation of ethyl 2-phenyl-2-(thiazol-2-yl)acetate. Due to the prevalence of such functional motifs in biologically active substances, we believe the oxidation... Read More about Ethyl 2-hydroxy-2-phenyl-2-(thiazol-2-yl)acetate.

Alkyne substituted mononuclear photocatalysts based on [RuCl(bpy)(tpy)](+) (2015)
Journal Article
Davidson, R., Wilson, L., Duckworth, A., Yufit, D., Beeby, A., & Low, P. (2015). Alkyne substituted mononuclear photocatalysts based on [RuCl(bpy)(tpy)](+). Dalton Transactions, 44(25), 11368-11379. https://doi.org/10.1039/c5dt01278c

The ethynyl-phenylene substituted 2,2′:6′,2′′-terpyridine (tpy) derivatives, 4-(phenyl-ethynyl)-2,2′:6′,2′′-terpyridine (L1), 4-(methoxyphenyl-ethynyl)-2,2′:6′,2′′-terpyridine (L2), 4-(tolyl-ethynyl)-2,2′:6′,2′′-terpyridine (L3) and 4-(nitrophenyl-et... Read More about Alkyne substituted mononuclear photocatalysts based on [RuCl(bpy)(tpy)](+).

A simple model for chromonic aggregation (2015)
Journal Article
Walker, M., & Wilson, M. (2015). A simple model for chromonic aggregation. Molecular Crystals and Liquid Crystals, 612(1), 117-125. https://doi.org/10.1080/15421406.2015.1030580

A simple 2-dimensional model is introduced to study molecular stacking in planar-non-ionic chromonics. The model allows changes in aggregation, arising from changes in interaction regions within a chromonic molecule, to be quantified. Application of... Read More about A simple model for chromonic aggregation.

The role of exciplex states in phosphorescent OLEDs with poly(vinylcarbazole) (PVK) host (2015)
Journal Article
Jankus, V., Abdullah, K., Griffiths, G. C., Al-Attar, H., Zheng, Y., Bryce, M. R., & Monkman, A. P. (2015). The role of exciplex states in phosphorescent OLEDs with poly(vinylcarbazole) (PVK) host. Organic Electronics, 20, 97-102. https://doi.org/10.1016/j.orgel.2015.02.002

Polymer light emitting diodes (PLEDs) may revolutionize lighting and display industries. PLEDs would enable printing of display or lighting panels on large area substrates that could substantially reduce fabrication costs by avoiding expensive vacuum... Read More about The role of exciplex states in phosphorescent OLEDs with poly(vinylcarbazole) (PVK) host.

Synthesis, Ni(II) Schiff base complexation and structural analysis of fluorinated analogs of the ligand (S)-2-[N-(N′-benzylprolyl)amino]benzophenone (BPB) (2015)
Journal Article
Tatum, N., Yufit, D., Cobb, S., & Coxon, C. (2015). Synthesis, Ni(II) Schiff base complexation and structural analysis of fluorinated analogs of the ligand (S)-2-[N-(N′-benzylprolyl)amino]benzophenone (BPB). Journal of Fluorine Chemistry, 173, 77-83. https://doi.org/10.1016/j.jfluchem.2015.02.007

Herein we report the first X-ray crystal structure of the well-known (S)-l-ala-Ni-BPB complex (1) and compare this with the X-ray crystal structures obtained for two novel fluorinated (S)-l-ala-Ni-BPB complexes (8 and 12) that contain either an S- or... Read More about Synthesis, Ni(II) Schiff base complexation and structural analysis of fluorinated analogs of the ligand (S)-2-[N-(N′-benzylprolyl)amino]benzophenone (BPB).

Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides (2015)
Journal Article
Ainsworth, C. M., Wang, C., Johnston, H. E., McCabe, E. E., Tucker, M. G., Brand, H. E., & Evans, J. S. (2015). Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides. Inorganic Chemistry, 54(15), 7230-7238. https://doi.org/10.1021/acs.inorgchem.5b00599

The origin of transition-metal ordering in Ln2O2MSe2 oxychalcogenides has been revealed by investigating a range of solid solutions. Transition-metal ordering is determined by the relative sizes of [Ln2O2]2+ and [MSe2]2− layers and can be exquisitely... Read More about Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.

Dynamics and thermodynamics of decay in charged clusters (2015)
Journal Article
Miller, M. A., Bonhommeau, D. A., Moerland, C. P., Gray, S. J., & Gaigeot, M. (2015). Dynamics and thermodynamics of decay in charged clusters. Molecular Physics, 113(17-18), 2428-2434. https://doi.org/10.1080/00268976.2015.1037805

We propose a method for quantifying charge-driven instabilities in clusters, based on equilibrium simulations under confinement at constant external pressure. This approach makes no assumptions about the mode of decay and allows different clusters to... Read More about Dynamics and thermodynamics of decay in charged clusters.

The effect of interbedding on shale reservoir properties (2015)
Journal Article
Raji, M., Gröcke, D., Greenwell, H., Gluyas, J., & Cornford, C. (2015). The effect of interbedding on shale reservoir properties. Marine and Petroleum Geology, 67, 154-169. https://doi.org/10.1016/j.marpetgeo.2015.04.015

North Sea oil is overwhelmingly generated in shales of the Upper Jurassic – basal Cretaceous Kimmeridge Clay Formation. Once generated, the oil is expelled and ultimately migrates to accumulate in sandstone or carbonate reservoirs. The source rock sh... Read More about The effect of interbedding on shale reservoir properties.

Cold atomic and molecular collisions: approaching the universal loss regime (2015)
Journal Article
Frye, M. D., Julienne, P. S., & Hutson, J. M. (2015). Cold atomic and molecular collisions: approaching the universal loss regime. New Journal of Physics, 17, Article 045019. https://doi.org/10.1088/1367-2630/17/4/045019

We investigate the behaviour of single-channel theoretical models of cold and ultracold collisions that take account of inelastic and reactive processes using a single parameter to represent short- range loss. We present plots of the resulting energy... Read More about Cold atomic and molecular collisions: approaching the universal loss regime.

Rate and Equilibrium Constants for the Addition of N-Heterocyclic Carbenes into Benzaldehydes: A Remarkable 2-Substituent Effect (2015)
Journal Article
Collett, C., Massey, R., Taylor, J., Maguire, O., O'Donoghue, A., & Smith, A. (2015). Rate and Equilibrium Constants for the Addition of N-Heterocyclic Carbenes into Benzaldehydes: A Remarkable 2-Substituent Effect. Angewandte Chemie International Edition, 54(23), 6887-6892. https://doi.org/10.1002/anie.201501840

Rate and equilibrium constants for the reaction between N-aryl triazolium N-heterocyclic carbene (NHC) precatalysts and substituted benzaldehyde derivatives to form 3-(hydroxybenzyl)azolium adducts under both catalytic and stoichiometric conditions h... Read More about Rate and Equilibrium Constants for the Addition of N-Heterocyclic Carbenes into Benzaldehydes: A Remarkable 2-Substituent Effect.