Outputs (4)

The effect of coordination of alkanes, Xe and CO2 (η1-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3 (2019)
Journal Article
Wu, X., Liu, Z., Murphy, T. S., Sun, X. Z., Hanson-Heine, M. W. D., Towrie, M., Harvey, J. N., & George, M. W. (2019). The effect of coordination of alkanes, Xe and CO2 (η1-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3. Faraday Discussions, 220, 86-104. https://doi.org/10.1039/c9fd00067d

A combined experimental and theoretical study is presented of several ligand addition reactions of the triplet fragment 3CpMn(CO)2 formed upon photolysis of CpMn(CO)3. Experimental data are provided for reactions in n-heptane and perfluoromethylcyclo... Read More about The effect of coordination of alkanes, Xe and CO2 (η1-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3.

In Situ Sulfidation of Pd/C: A Straightforward Method for Chemoselective Conjugate Reduction by Continuous Hydrogenation (2019)
Journal Article
Moore, J. C., Howie, R. A., Bourne, S. L., Jenkins, G. N., Licence, P., Poliakoff, M., & George, M. W. (2019). In Situ Sulfidation of Pd/C: A Straightforward Method for Chemoselective Conjugate Reduction by Continuous Hydrogenation. ACS Sustainable Chemistry and Engineering, 7(19), 16814-16819. https://doi.org/10.1021/acssuschemeng.9b04347

A method has been developed for the in situ sulfidation of Pd/C under continuous flow. The approach provides a cheap, sustainable, and operationally convenient method for chemoselective conjugate reduction by continuous hydrogenation. High conversio... Read More about In Situ Sulfidation of Pd/C: A Straightforward Method for Chemoselective Conjugate Reduction by Continuous Hydrogenation.

A scaled CIS(D) based method for the calculation of valence and core electron ionization energies (2019)
Journal Article
Hanson-Heine, M. W. D., George, M. W., & Besley, N. A. (2019). A scaled CIS(D) based method for the calculation of valence and core electron ionization energies. Journal of Chemical Physics, 151(3), Article 034104. https://doi.org/10.1063/1.5100098

The calculation of electron ionisation energies is a key component for the simulation of photoelectron spectroscopy. CIS(D) is a perturbative doubles correction for the single excitation configuration interaction (CIS) method which provides a new appr... Read More about A scaled CIS(D) based method for the calculation of valence and core electron ionization energies.

Monitoring the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy (2019)
Journal Article
Bartlett, S. A., Besley, N. A., Dent, A. J., Diaz-Moreno, S., Evans, J., Hamilton, M. L., Hanson-Heine, M. W. D., Horvath, R., Manici, V., Sun, X.-Z., Towrie, M., Wu, L., Zhang, X., & George, M. W. (2019). Monitoring the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy. Journal of the American Chemical Society, 141(29), 11471-11480. https://doi.org/10.1021/jacs.8b13848

Complexes with weakly coordinating ligands are often formed in chemical reactions and can play key roles in determining the reactivity, particularly in catalytic reactions. Using time-resolved X-ray absorption fine structure (XAFS) spectroscopy in co... Read More about Monitoring the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy.