Outputs (151)

Tunable Photocatalytic Activity of Palladium-Decorated TiO2: Non-Hydrogen-Mediated Hydrogenation or Isomerization of Benzyl-Substituted Alkenes (2016)
Journal Article

Palladium-decorated TiO2 is a moisture- and air-tolerant versatile catalyst. Its photocatalytic activity can be tuned in favor of hydrogenation or isomerization of benzyl-substituted alkenes simply by changing the irradiation wavelength. Benzyl-subst... Read More about Tunable Photocatalytic Activity of Palladium-Decorated TiO2: Non-Hydrogen-Mediated Hydrogenation or Isomerization of Benzyl-Substituted Alkenes.

Exploring the reactivity of 2-trichloromethylbenzoxazoles for access to substituted benzoxazoles (2016)
Journal Article

The reactivity of 2-trichloromethylbenzoxazoles towards various nucleophiles, under metal free or iron-catalyzed conditions, for the synthesis of substituted benzoxazoles is described. These methods allow for selective substitution at either the 2- o... Read More about Exploring the reactivity of 2-trichloromethylbenzoxazoles for access to substituted benzoxazoles.

From the molecule to the mole: improving heterogeneous copper catalyzed click chemistry using single molecule spectroscopy (2016)
Journal Article

Single molecule spectroscopy (SMS) inspired the optimization of a heterogeneous ‘click’ catalyst leading to enhanced yields of the Cu-catalyzed reaction of azides with terminal alkynes. Changes in SMS data after optimization confirm the improvements... Read More about From the molecule to the mole: improving heterogeneous copper catalyzed click chemistry using single molecule spectroscopy.

Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids (2016)
Journal Article

Chromeazurol B (Na2HL) is a pH-sensitive (halochromic) dye based on a hydroxytriarylmethane core and two carboxylate functional groups, which makes it suitable for the synthesis of coordination polymers. Two new coordination polymers [NaZn4(H2O)3(L)3... Read More about Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.

Orbital engineering: photoactivation of an organofunctionalized polyoxotungstate (2016)
Journal Article

Tungsten-based polyoxometalates (POMs) are employed as UV-driven photo-catalysts for a range of organic transformations. Their photoactivity is dependent on electronic transitions between frontier orbitals, and thus manipulation of orbital energy lev... Read More about Orbital engineering: photoactivation of an organofunctionalized polyoxotungstate.

Photochemistry of framework-supported M(diimine)(CO)₃X complexes in 3D Lithium-Carboxylate metal−organic frameworks: monitoring the effect of framework cations (2016)
Journal Article

The structures and photochemical behaviour of two new metal-organic frameworks are reported. Reaction of Re(2,2ʹ-bipyʹ-5,5ʹ-dicarboxylic acid)(CO)₃Cl or Mn(2,2ʹ-bipyʹ-5,5ʹ- dicarboxylic acid)(CO)₃Br with either LiCl or LiBr, respectively, produces si... Read More about Photochemistry of framework-supported M(diimine)(CO)₃X complexes in 3D Lithium-Carboxylate metal−organic frameworks: monitoring the effect of framework cations.

An empirical force field for the simulation of the vibrational spectroscopy of carbon nanomaterials (2016)
Journal Article

An empirical force field for carbon based upon the Murrell-Mottram potential is developed for the calculation of the vibrational frequencies of carbon nanomaterials. The potential is reparameterised using data from density functional theory calculati... Read More about An empirical force field for the simulation of the vibrational spectroscopy of carbon nanomaterials.

A laboratory-scale annular continuous flow reactor for UV photochemistry using excimer lamps for discrete wavelength excitation and its use in a wavelength study of a photodecarboxlyative cyclisation (2016)
Journal Article

This paper describes a new annular reactor for continuous UV photochemistry, which uses easily interchangeable excimer lamps of different wavelengths. The reactor has narrow clearance to form thin films of material for efficient irradiation of molecu... Read More about A laboratory-scale annular continuous flow reactor for UV photochemistry using excimer lamps for discrete wavelength excitation and its use in a wavelength study of a photodecarboxlyative cyclisation.

The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology (2016)
Journal Article

The p-T phase diagrams of two ternary systems (CO2 + Ar + N2 and CO2 + Ar + H2) have been measured at temperatures between 268 and 303 K using a fibre-optic phase equilibrium analyser. CO2, which is the major component, has a mole fraction ranging fr... Read More about The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology.

Computing infrared spectra of proteins using the exciton model (2016)
Journal Article

The ability to compute from first principles the infrared spectrum of a protein in solution phase representing a biological system would provide a useful connection to atomistic models of protein structure and dynamics. Indeed, such calculations are... Read More about Computing infrared spectra of proteins using the exciton model.