Outputs (97)

Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy (2014)
Journal Article
Harris, J. P., Andrejeva, A., Tuttle, W. D., Pugliesi, I., Schriever, C., & Wright, T. G. (2014). Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy. Journal of Chemical Physics, 141(24), Article 244315. https://doi.org/10.1063/1.4904706

We report resonance-enhanced multiphoton ionization spectra of the isotopologues fluorobenzeneh5 and fluorobenzene-d5. By making use of quantum chemical calculations, the changes in the wavenumber of the vibrational modes upon deuteration are examine... Read More about Vibrations of the S1 state of fluorobenzene-h5 and fluorobenzene-d5 via resonance-enhanced multiphoton ionization (REMPI) spectroscopy.

Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp3-rich library (2014)
Journal Article
Storr, T. E., Cully, S. J., Rawling, M. J., Lewis, W., Hamza, D., Jones, G., & Stockman, R. A. (2015). Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp3-rich library. Bioorganic and Medicinal Chemistry, 23(11), https://doi.org/10.1016/j.bmc.2014.12.050

The application of a tandem condensation/cyclisation/[3+2]-cycloaddition/elimination reaction gives an sp3-rich tricyclic pyrazoline scaffold with two ethyl esters in a single step from a simple linear starting material. The successive hydrolysis and... Read More about Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp3-rich library.

Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials (2014)
Journal Article
Do, H., & Besley, N. A. (2014). Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials. Physical Chemistry Chemical Physics, 17(5), 3898-3908. https://doi.org/10.1039/c4cp05424e

© the Owner Societies 2015. Vibrational frequencies for carbon clusters, fullerenes and nanotubes evaluated using empirical carbon-carbon potentials are presented. For linear and cyclic clusters, frequencies evaluated with the reactive empirical bond... Read More about Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials.

Acyl-chain elongation drives ketosynthase substrate selectivity in trans-acyltransferase polyketide synthases (2014)
Journal Article
Jenner, M., Afonso, J. P., Bailey, H. R., Frank, S., Kampa, A., Piel, J., & Oldfield, N. J. (2015). Acyl-chain elongation drives ketosynthase substrate selectivity in trans-acyltransferase polyketide synthases. Angewandte Chemie International Edition, 54(6), https://doi.org/10.1002/anie.201410219

Type I modular polyketide synthases (PKSs), responsible for the biosynthesis of many biologically active agents, possess a ketosynthase (KS) domain within each module to catalyze chain elongation. Acylation of the KS active site Cys residue is foll... Read More about Acyl-chain elongation drives ketosynthase substrate selectivity in trans-acyltransferase polyketide synthases.

Photocatalytic hydroxylation of arylboronic acids using continuous flow reactors (2014)
Journal Article
Penders, I. G. T. M., Amara, Z., Horvath, R., Rossen, K., Poliakoff, M., & George, M. W. (in press). Photocatalytic hydroxylation of arylboronic acids using continuous flow reactors. RSC Advances, 5(9), https://doi.org/10.1039/c4ra15588b

The photocatalytic oxidation of mono- and di-substituted arylboronic acids to phenols has been investigated using a continuous flow photoreactor fitted with white LEDs. An EtOH–H2O solvent system accelerated conversion at 2 MPa; whereas reactions at... Read More about Photocatalytic hydroxylation of arylboronic acids using continuous flow reactors.

Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly (2014)
Journal Article
Slater, A. G., Hu, Y., Yang, L., Argent, S. P., Lewis, W., Blunt, M. O., & Champness, N. R. (in press). Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly. RSC Advances, 6, https://doi.org/10.1039/C4SC03531C

The synthesis and surface-based self-assembly of thymine-functionalised porphyrins is described. Reaction of 1-formylphenyl-3-benzoyl-thymine with suitable pyrollic species leads to the formation of tetra-(phenylthymine)porphyrin (tetra-TP) or mono-t... Read More about Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly.

Adsorbate-induced curvature and stiffening of graphene (2014)
Journal Article
Svatek, S. A., Scott, O. R., Rivett, J. P., Wright, K., Baldoni, M., Bichoutskaia, E., …Beton, P. H. (2015). Adsorbate-induced curvature and stiffening of graphene. Nano Letters, 15(1), https://doi.org/10.1021/nl503308c

The adsorption of the alkane tetratetracontane (TTC, C44H90) on graphene induces the formation of a curved surface stabilized by a gain in adsorption energy. This effect arises from a curvature-dependent variation of a moiré pattern due to the mismat... Read More about Adsorbate-induced curvature and stiffening of graphene.

Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate (2014)
Journal Article
Schwehm, C., Lewis, W., Blake, A. J., Kellam, B., & Stocks, M. J. (2014). Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate. Acta Crystallographica Section C: Structural Chemistry, 70(12), 1161-1168. https://doi.org/10.1107/s205322961402436x

Bicycle ring closure on a mixture of (4aS,8aR)- and (4aR,8aS)-ethyl 2-oxodecahydro-1,6-naphthyridine-6-carboxylate, followed by conversion of the separated cis and trans isomers to the corresponding thioamide derivatives, gave (4aSR,8aRS)-ethyl 2-sul... Read More about Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate.

Switching intermolecular interactions by confinement in carbon nanotubes (2014)
Journal Article
Chamberlain, T., Lebedeva, M., Abuajwa, W., Suyetin, M., Lewis, W., Bichoutskaia, E., …Khlobystov, A. N. (2015). Switching intermolecular interactions by confinement in carbon nanotubes. Chemical Communications, 51(4), 648-651. https://doi.org/10.1039/c4cc08029g

The encapsulation of trityl-functionalised C60 molecules inside carbon nanotubes drastically affects the intermolecular interactions for this species. Whilst the orientations of molecules in the crystal are often controlled by thermodynamics, the mol... Read More about Switching intermolecular interactions by confinement in carbon nanotubes.

Polyaniline- and poly(ethylenedioxythiophene)-cellulose nanocomposite electrodes for supercapacitors (2014)
Journal Article
Liew, S. Y., Thielemans, W., & Walsh, D. A. (2014). Polyaniline- and poly(ethylenedioxythiophene)-cellulose nanocomposite electrodes for supercapacitors. Journal of Solid State Electrochemistry, 18(12), https://doi.org/10.1007/s10008-014-2669-7

The formation and characterisation of films of polyaniline (PANI) and poly(ethylenedioxythiophene) (PEDOT) containing cellulose nanocrystals (CNXLs) from cotton are described. PANI/CNXL films were electrodeposited from a solution containing CNXLs, HC... Read More about Polyaniline- and poly(ethylenedioxythiophene)-cellulose nanocomposite electrodes for supercapacitors.