All Outputs (23)

A synthetic-dynamic method for water solubility measurements in high pressure CO2 using ATR–FTIR spectroscopy (2015)
Journal Article
Comak, G., Foltran, S., Ke, J., Pérez, E., Sánchez-Vicente, Y., George, M. W., & Poliakoff, M. (2016). A synthetic-dynamic method for water solubility measurements in high pressure CO2 using ATR–FTIR spectroscopy. Journal of Chemical Thermodynamics, 93, https://doi.org/10.1016/j.jct.2015.09.024

A new synthetic method for studying phase behaviour is described using Attenuated Total Reflection (ATR) spectroscopy. The method has been developed to provide relevant information on the solubility of water in CO2. The dew point of water has been de... Read More about A synthetic-dynamic method for water solubility measurements in high pressure CO2 using ATR–FTIR spectroscopy.

Comparison of rhenium–porphyrin dyads for CO₂ photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy (2015)
Journal Article
Windle, C. D., George, M. W., Perutz, R. N., Summers, P. A., Sun, X. Z., & Whitwood, A. C. (2015). Comparison of rhenium–porphyrin dyads for CO₂ photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy. Chemical Science, 6(12), 6847-6864. https://doi.org/10.1039/c5sc02099a

We report a study of the photocatalytic reduction of CO₂ to CO by zinc porphyrins covalently linked to [ReI(2,2′-bipyridine)(CO)₃L]⁺/⁰ moieties with visible light of wavelength >520 nm. Dyad 1 contains an amide C₆H₄NHC(O) link from porphyrin to bipyr... Read More about Comparison of rhenium–porphyrin dyads for CO₂ photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy.

Calculating excited state properties using Kohn-Sham density functional theory (2013)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (2013). Calculating excited state properties using Kohn-Sham density functional theory. Journal of Chemical Physics, 138(6), Article 064101. https://doi.org/10.1063/1.4789813

The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum overlap method has been assessed for the calculation of adiabatic excitation energies, excited state structures, and excited state harmonic and anhar... Read More about Calculating excited state properties using Kohn-Sham density functional theory.