All Outputs (11)

Structure and thermal stability of phosphorus-iodonium ylids (2024)
Preprint / Working Paper
Greener, A., P. Argent, S., Clarke, C., & L. O'Duill, M. Structure and thermal stability of phosphorus-iodonium ylids

Hypervalent iodine(III) reagents have become indispensable tools in organic synthesis, but gaps remain in the functionalities they can transfer. In this study, a fundamental understanding of the thermal stability of phosphorus-iodonium ylids is obtai... Read More about Structure and thermal stability of phosphorus-iodonium ylids.

A thermophysical investigation of weakly coordinated metals in ionic liquids (2024)
Journal Article
Clarke, C. J., Clayton, T., Palmer, M. J., Lovelock, K. R. J., & Licence, P. (2024). A thermophysical investigation of weakly coordinated metals in ionic liquids. Chemical Science, 15(34), 13832-13840. https://doi.org/10.1039/d4sc03588g

Ionic liquids can solvate metals without strongly coordinating them, which gives a rare opportunity to probe the complexity of weakly coordinated metals through characterisation of liquid properties. In this work we use bis(trifluoromethanesulfonyl)i... Read More about A thermophysical investigation of weakly coordinated metals in ionic liquids.

Zero-valent iron (ZVI) facilitated in-situ selenium (Se) immobilization and its recovery by magnetic separation: Mechanisms and implications for microbial ecology (2024)
Journal Article
Wang, Z., Lü, C., Wang, Y., Gomes, R. L., Clarke, C. J., & Gomes, H. I. (2024). Zero-valent iron (ZVI) facilitated in-situ selenium (Se) immobilization and its recovery by magnetic separation: Mechanisms and implications for microbial ecology. Journal of Hazardous Materials, 473, Article 134591. https://doi.org/10.1016/j.jhazmat.2024.134591

Selenium (Se(VI)) is environmentally toxic. One of the most popular reducing agents for Se(VI) remediation is zero-valent iron (ZVI). However, most ZVI studies were carried out in water matrices, and the recovery of reduced Se has not been investigat... Read More about Zero-valent iron (ZVI) facilitated in-situ selenium (Se) immobilization and its recovery by magnetic separation: Mechanisms and implications for microbial ecology.

Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory (2024)
Journal Article
Gousseva, E., Towers Tompkins, F. K., Seymour, J. M., Parker, L. G., Clarke, C. J., Palgrave, R. G., Bennett, R. A., Grau-Crespo, R., & Lovelock, K. R. (2024). Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory. Journal of Physical Chemistry B, 128(20), 5030-5043. https://doi.org/10.1021/acs.jpcb.4c00362

Using a combination of experiments and calculations, we have gained new insights into the nature of anion-cation interactions in ionic liquids (ILs). An X-ray photoelectron spectroscopy (XPS)-derived anion-dependent electrostatic interaction strength... Read More about Anion-Dependent Strength Scale of Interactions in Ionic Liquids from X-ray Photoelectron Spectroscopy, Ab Initio Molecular Dynamics, and Density Functional Theory.

Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations (2024)
Journal Article
Seymour, J., Gousseva, E., Towers Tompkins, F., Parker, L., Alblewi, N., Clarke, C. J., …Lovelock, K. R. J. (2024). Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations. Faraday Discussions, https://doi.org/10.1039/d4fd00029c

Using a combination of liquid-phase experimental X-ray spectroscopy experiments and small-scale calculations we have gained new insights into the speciation of halozincate anions in ionic liquids (ILs). Both core and valence X-ray photoelectron spect... Read More about Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations.

Halometallate ionic liquids: thermal properties, decomposition pathways, and life cycle considerations (2022)
Journal Article
Clarke, C. J., Baaqel, H., Matthews, R. P., Chen, Y., Lovelock, K. R., Hallett, J. P., & Licence, P. (2022). Halometallate ionic liquids: thermal properties, decomposition pathways, and life cycle considerations. Green Chemistry, 24(15), 5800-5812. https://doi.org/10.1039/d2gc01983c

Halometallate ionic liquids provide new opportunities for industrial catalytic processes because of their unique blend of physical and chemical properties. Tunability underpins the success of ionic liquids because small structural changes can have dr... Read More about Halometallate ionic liquids: thermal properties, decomposition pathways, and life cycle considerations.

Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states (2022)
Journal Article
Seymour, J., Gousseva, E., Bennett, R. A., Large, A. I., Held, G., Hein, D., …Lovelock, K. R. J. (2022). Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states. Faraday Discussions, 236, 389-411. https://doi.org/10.1039/d1fd00117e

Valence electronic structure is crucial for understanding and predicting reactivity. Valence non-resonant X-ray photoelectron spectroscopy (NRXPS) provides a direct method for probing the overall valence electronic structure. However, it is often dif... Read More about Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states.

Experimental measurement and prediction of ionic liquid ionisation energies (2021)
Journal Article
Seymour, J. M., Gousseva, E., Large, A. I., Clarke, C. J., Licence, P., Fogarty, R. M., …Lovelock, K. R. J. (2021). Experimental measurement and prediction of ionic liquid ionisation energies. Physical Chemistry Chemical Physics, 23(37), 20957-20973. https://doi.org/10.1039/d1cp02441h

Ionic liquid (IL) valence electronic structure provides key descriptors for understanding and predicting IL properties. The ionisation energies of 60 ILs are measured and the most readily ionised valence state of each IL (the highest occupied molecul... Read More about Experimental measurement and prediction of ionic liquid ionisation energies.

Linking the the thermal and electronic properties of functional dicationic salts with their molecular structures (2021)
Journal Article
Clarke, C. J., Morgan, P. J., Hallett, J. P., & Licence, P. (2021). Linking the the thermal and electronic properties of functional dicationic salts with their molecular structures. ACS Sustainable Chemistry and Engineering, 9(18), 6224-6234. https://doi.org/10.1021/acssuschemeng.0c08564

The two major properties that underpin ionic liquids are tunability and the potential to create task-specific media. Together, these properties allow ionic liquids to surpass the roles long held by traditional molecular solvents. However, at elevated... Read More about Linking the the thermal and electronic properties of functional dicationic salts with their molecular structures.

Thermolysis of Organofluoroborate Ionic Liquids to NHC-Organofluoroborates (2020)
Journal Article
Clarke, C. J., Richardson, N., Firth, A. E., Hallett, J. P., & Licence, P. (2020). Thermolysis of Organofluoroborate Ionic Liquids to NHC-Organofluoroborates. ACS Sustainable Chemistry and Engineering, 8(44), 16386–16390. https://doi.org/10.1021/acssuschemeng.0c06377

A range of dialkylimidazolium organotrifluoroborate ionic liquids were prepared by anion metathesis from newly available potassium organotrifluoroborate salts, and their physical properties were characterized by TGA, DSC, and STA. Thermal decompositi... Read More about Thermolysis of Organofluoroborate Ionic Liquids to NHC-Organofluoroborates.

Thermally-Stable Imidazolium Dicationic Ionic Liquids with Pyridine Functional Groups (2020)
Journal Article
Clarke, C. J., Bui-Le, L., Hallett, J. P., & Licence, P. (2020). Thermally-Stable Imidazolium Dicationic Ionic Liquids with Pyridine Functional Groups. ACS Sustainable Chemistry and Engineering, 8(23), 8762-8772. https://doi.org/10.1021/acssuschemeng.0c02473

Thermally-stable ionic liquids (ILs) have limited structural possibilities and lack coordinating anions or functional groups. Thermal stability effectively incurs a tunability penalty, limiting ionic liquid function to render them as simple heat-stab... Read More about Thermally-Stable Imidazolium Dicationic Ionic Liquids with Pyridine Functional Groups.