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2025

Journal Article

Revealing the Nature of Non‐Covalent Interactions in Ionic Liquids by Combined Pulse EPR and <sup>19</sup>F NMR Spectroscopy

Rogers, Ciarán J., Koutsoukos, Spyridon, Eisermann, Jana, Wylie, Luke, Smith, Gavin J., Welton, Tom and Roessler, Maxie M. (2025). Revealing the Nature of Non‐Covalent Interactions in Ionic Liquids by Combined Pulse EPR and 19F NMR Spectroscopy. Angewandte Chemie International Edition, 137 (28) e202504882, e202504882. doi: 10.1002/anie.202504882

Revealing the Nature of Non‐Covalent Interactions in Ionic Liquids by Combined Pulse EPR and <sup>19</sup>F NMR Spectroscopy

2024

Journal Article

Unveiling hierarchical self‐assembly of triazolylferrocenyl dendrimers: producing non‐traditional intrinsically green fluorescent vesosomes for nanotheranostics

Braga, Carolyne B., Perli, Gabriel, Wang, Qi, Wylie, Luke, Bertuzzi, Diego L., Soares, Marco C. P., Ramos, Miguel D., Ruiz, Jaime, Padua, Agilio, Astruc, Didier and Ornelas, Catia (2024). Unveiling hierarchical self‐assembly of triazolylferrocenyl dendrimers: producing non‐traditional intrinsically green fluorescent vesosomes for nanotheranostics. Advanced Healthcare Materials, 13 (32) 2402888, e2402888-32. doi: 10.1002/adhm.202402888

Unveiling hierarchical self‐assembly of triazolylferrocenyl dendrimers: producing non‐traditional intrinsically green fluorescent vesosomes for nanotheranostics

2024

Journal Article

A general iron‐catalyzed decarboxylative oxygenation of aliphatic carboxylic acids

Denkler, Luca Mareen, Aladahalli Shekar, Meghana, Ngan, Tak Shing Jason, Wylie, Luke, Abdullin, Dinar, Engeser, Marianne, Schnakenburg, Gregor, Hett, Tobias, Pilz, Frank Hendrik, Kirchner, Barbara, Schiemann, Olav, Kielb, Patrycja and Bunescu, Ala (2024). A general iron‐catalyzed decarboxylative oxygenation of aliphatic carboxylic acids. Angewandte Chemie (International Edition), 63 (32) e202403292, e202403292-32. doi: 10.1002/anie.202403292

A general iron‐catalyzed decarboxylative oxygenation of aliphatic carboxylic acids

2024

Journal Article

Vibrational spectra simulations in amino acid-based imidazolium ionic liquids

Dong, Wenbo, Blasius, Jan, Fan, Zhijie and Wylie, Luke (2024). Vibrational spectra simulations in amino acid-based imidazolium ionic liquids. The Journal of Physical Chemistry B, 128 (27), 6560-6566. doi: 10.1021/acs.jpcb.4c02555

Vibrational spectra simulations in amino acid-based imidazolium ionic liquids

2024

Journal Article

Exploring the influence of the phosphorus-heteroatom substitution in nicotine on its electronic and vibrational spectroscopic properties

Taherivardanjani, Shima, Wylie, Luke, Dötzer, Reinhard and Kirchner, Barbara (2024). Exploring the influence of the phosphorus-heteroatom substitution in nicotine on its electronic and vibrational spectroscopic properties. Chemistry: A European Journal, 30 (7) e202302534, 1-14. doi: 10.1002/chem.202302534

Exploring the influence of the phosphorus-heteroatom substitution in nicotine on its electronic and vibrational spectroscopic properties

2023

Journal Article

Thermodynamics of tri- and tetraepoxyimidazolium NTf2 amine polyaddition: a theoretical perspective

Wylie, Luke, Perli, Gabriel, Duchet-Rumeau, Jannick, Livi, Sébastien and Padua, Agilio (2023). Thermodynamics of tri- and tetraepoxyimidazolium NTf2 amine polyaddition: a theoretical perspective. The Journal of Physical Chemistry B, 127 (51), 11074-11082. doi: 10.1021/acs.jpcb.3c06554

Thermodynamics of tri- and tetraepoxyimidazolium NTf2 amine polyaddition: a theoretical perspective

2023

Journal Article

On the rich chemistry of pseudo‐protic ionic liquid electrolytes

Wylie, Luke, Kéri, Mónika, Udvardy, Antal, Hollóczki, Oldamur and Kirchner, Barbara (2023). On the rich chemistry of pseudo‐protic ionic liquid electrolytes. ChemSusChem, 16 (20) e202300535, e202300535-20. doi: 10.1002/cssc.202300535

On the rich chemistry of pseudo‐protic ionic liquid electrolytes

2023

Journal Article

Solvent dependency of catalyst‐substrate aggregation through π‐π stacking in photoredox catalysis

Wylie, Luke, Barham, Joshua P. and Kirchner, Barbara (2023). Solvent dependency of catalyst‐substrate aggregation through π‐π stacking in photoredox catalysis. ChemPhysChem, 24 (20) e202300470, e202300470. doi: 10.1002/cphc.202300470

Solvent dependency of catalyst‐substrate aggregation through π‐π stacking in photoredox catalysis

2022

Journal Article

Theoretical analysis of physical and chemical CO2 absorption by tri- and tetraepoxidized imidazolium ionic liquids

Wylie, Luke, Perli, Gabriel, Avila, Jocasta, Livi, Sebastien, Duchet-Rumeau, Jannick, Costa Gomes, Margarida and Padua, Agilio (2022). Theoretical analysis of physical and chemical CO2 absorption by tri- and tetraepoxidized imidazolium ionic liquids. The Journal of Physical Chemistry B, 126 (47), 9901-9910. doi: 10.1021/acs.jpcb.2c06630

Theoretical analysis of physical and chemical CO2 absorption by tri- and tetraepoxidized imidazolium ionic liquids

2021

Journal Article

Electrochemical characterization and thermodynamic analysis of TEMPO derivatives in ionic liquids

Wylie, Luke, Hakatayama-Sato, Kan, Go, Choitsu, Oyaizu, Kenichi and Izgorodina, Ekaterina I. (2021). Electrochemical characterization and thermodynamic analysis of TEMPO derivatives in ionic liquids. Physical Chemistry Chemical Physics, 23 (17), 10205-10217. doi: 10.1039/d0cp05350c

Electrochemical characterization and thermodynamic analysis of TEMPO derivatives in ionic liquids

2020

Journal Article

Reversible reduction of the TEMPO radical: one step closer to an all-organic redox flow battery

Wylie, Luke, Blesch, Thomas, Freeman, Rebecca, Hatakeyama-Sato, Kan, Oyaizu, Kenichi, Yoshizawa-Fujita, Masahiro and Izgorodina, Ekaterina I. (2020). Reversible reduction of the TEMPO radical: one step closer to an all-organic redox flow battery. ACS Sustainable Chemistry and Engineering, 8 (49), 17988-17996. doi: 10.1021/acssuschemeng.0c05687

Reversible reduction of the TEMPO radical: one step closer to an all-organic redox flow battery

2020

Journal Article

Isomers of alkali metal (methylbenzyl)allylamides: a theoretical perspective

Wylie, Luke, Flynn, Matthew, Blair, Victoria L., Andrews, Philip C. and Izgorodina, Ekaterina I. (2020). Isomers of alkali metal (methylbenzyl)allylamides: a theoretical perspective. ACS Omega, 5 (16), 9448-9457. doi: 10.1021/acsomega.0c00652

Isomers of alkali metal (methylbenzyl)allylamides: a theoretical perspective

2019

Journal Article

Toward improved performance of all-organic nitroxide radical batteries with ionic liquids: a theoretical perspective

Wylie, Luke, Oyaizu, Kenichi, Karton, Amir, Yoshizawa-Fujita, Masahiro and Izgorodina, Ekaterina I. (2019). Toward improved performance of all-organic nitroxide radical batteries with ionic liquids: a theoretical perspective. ACS Sustainable Chemistry and Engineering, 7 (5), 5367-5375. doi: 10.1021/acssuschemeng.8b06393

Toward improved performance of all-organic nitroxide radical batteries with ionic liquids: a theoretical perspective

2017

Journal Article

Application of spin-ratio scaled MP2 for the prediction of intermolecular interactions in chemical systems

Tan, Samuel Y. S., Wylie, Luke, Begic, Ivan, Tran, Dennis and Izgorodina, Ekaterina I. (2017). Application of spin-ratio scaled MP2 for the prediction of intermolecular interactions in chemical systems. Physical Chemistry Chemical Physics, 19 (42), 28936-28942. doi: 10.1039/c7cp04391k

Application of spin-ratio scaled MP2 for the prediction of intermolecular interactions in chemical systems