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Synthesis of model terpene-derived copolymers in supercritical carbon dioxide for cosmetic applications (2021)
Journal Article
Bennett, T. M., Portal, J., Jeanne-Rose, V., Taupin, S., Ilchev, A., Irvine, D. J., & Howdle, S. M. (2021). Synthesis of model terpene-derived copolymers in supercritical carbon dioxide for cosmetic applications. European Polymer Journal, 157, Article 110621. https://doi.org/10.1016/j.eurpolymj.2021.110621

There is currently a strong drive within the cosmetics industry to replace petroleum based solvents and polymers with renewable alternatives. Copolymers of 2-ethylhexyl acrylate (2EHA) and maleic anhydride (MA) are interesting model candidates to be... Read More about Synthesis of model terpene-derived copolymers in supercritical carbon dioxide for cosmetic applications.

Group 11 m-Terphenyl Complexes Featuring Metallophilic Interactions (2021)
Journal Article
Liu, Y., Taylor, L. J., Argent, S. P., McMaster, J., & Kays, D. L. (2021). Group 11 m-Terphenyl Complexes Featuring Metallophilic Interactions. Inorganic Chemistry, 60(14), 10114-10123. https://doi.org/10.1021/acs.inorgchem.0c03623

A series of group 11 m-terphenyl complexes have been synthesized via a metathesis reaction from the iron(II) complexes (2,6-Mes2C6H3)2Fe and (2,6-Xyl2C6H3)2Fe (Mes = 2,4,6-Me3C6H2; Xyl = 2,6-Me2C6H3). [2,6-Mes2C6H3M]2 (1, M = Cu; 2, M = Ag; 6, M = Au... Read More about Group 11 m-Terphenyl Complexes Featuring Metallophilic Interactions.

Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process (2021)
Journal Article
Wu, L., Abreu, B. L., Blake, A. J., Taylor, L. J., Lewis, W., Argent, S. P., Poliakoff, M., Boufroura, H., & George, M. W. (2021). Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process. Organic Process Research and Development, 25(8), 1873-1881. https://doi.org/10.1021/acs.oprd.1c00111

Photochemical synthesis of highly reactive hydroperoxides and their conversion into useful products, such as 1,2,4-trioxanes, are of wide interest for synthetic organic chemistry and pharmaceutical manufacturing particularly because of their relevanc... Read More about Multigram Synthesis of Trioxanes Enabled by a Supercritical CO2 Integrated Flow Process.

Pore-Scale Modeling of Fluid–Rock Chemical Interactions in Shale during Hydraulic Fracturing (2021)
Journal Article
Fazeli, H., Vandeginste, V., Rabbani, A., Babaei, M., & Muljadi, B. (2021). Pore-Scale Modeling of Fluid–Rock Chemical Interactions in Shale during Hydraulic Fracturing. Energy and Fuels, 35(13), 10461-10474. https://doi.org/10.1021/acs.energyfuels.0c02975

During the hydraulic fracturing process in unconventional shale gas reservoirs, chemical interactions between the hydraulic fracturing fluid (HFF) and the shale rock could result in mineral precipitation and dissolution reactions, potentially influen... Read More about Pore-Scale Modeling of Fluid–Rock Chemical Interactions in Shale during Hydraulic Fracturing.

Critical Role of the Interphase at Magnesium Electrodes in Chloride-Free, Simple Salt Electrolytes (2021)
Journal Article
Holc, C., Dimogiannis, K., Hopkinson, E., & Johnson, L. R. (2021). Critical Role of the Interphase at Magnesium Electrodes in Chloride-Free, Simple Salt Electrolytes. ACS Applied Materials and Interfaces, 13(25), 29708-29713. https://doi.org/10.1021/acsami.1c06130

Magnesium (Mg) batteries are a potential beyond lithium-ion technology but currently suffer from poor cycling performance, partly due to the interphase formed when magnesium electrodes react with electrolytes. The use of magnesium bis(trifluoromethan... Read More about Critical Role of the Interphase at Magnesium Electrodes in Chloride-Free, Simple Salt Electrolytes.

Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S1 ← S0 Transitions (2021)
Journal Article
Robinson, D., Alarfaji, S. S., & Hirst, J. D. (2021). Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S1 ← S0 Transitions. Journal of Physical Chemistry A, 125(24), 5237–5245. https://doi.org/10.1021/acs.jpca.1c01685

For benzene, toluene, aniline, fluorobenzene, and phenol, even sophisticated treatments of electron correlation, such as MRCI and XMS-CASPT2 calculations, show oscillator strengths typically lower than experiment. Inclusion of a simple pseudo-diabati... Read More about Benzene, Toluene, and Monosubstituted Derivatives: Diabatic Nature of the Oscillator Strengths of S1 ← S0 Transitions.

Piecing Together Large Polycyclic Aromatic Hydrocarbons and Fullerenes: A Combined ChemTEM Imaging and MALDI-ToF Mass Spectrometry Approach (2021)
Journal Article
Gover, R. K. E., Chamberlain, T. W., Sarre, P. J., & Khlobystov, A. N. (2021). Piecing Together Large Polycyclic Aromatic Hydrocarbons and Fullerenes: A Combined ChemTEM Imaging and MALDI-ToF Mass Spectrometry Approach. Frontiers in Chemistry, 9, Article 700562. https://doi.org/10.3389/fchem.2021.700562

Motivated by their importance in chemistry, physics, astronomy and materials science, we investigate routes to the formation of large polycyclic aromatic hydrocarbon (PAH) molecules and the fullerene C60 from specific smaller PAH building blocks. The... Read More about Piecing Together Large Polycyclic Aromatic Hydrocarbons and Fullerenes: A Combined ChemTEM Imaging and MALDI-ToF Mass Spectrometry Approach.

Excited-State Switching in Rhenium(I) Bipyridyl Complexes with Donor-Donor and Donor-Acceptor Substituents (2021)
Journal Article
Sutton, J. J., Preston, D., Traber, P., Steinmetzer, J., Wu, X., Kayal, S., Sun, X.-Z., Crowley, J. D., George, M. W., Kupfer, S., & Gordon, K. C. (2021). Excited-State Switching in Rhenium(I) Bipyridyl Complexes with Donor-Donor and Donor-Acceptor Substituents. Journal of the American Chemical Society, 143(24), 9082-9093. https://doi.org/10.1021/jacs.1c02755

The optical properties of two Re(CO)3(bpy)Cl complexes in which the bpy is substituted with two donor (triphenylamine, TPA, ReTPA2) as well as both donor (TPA) and acceptor (benzothiadiazole, BTD, ReTPA-BTD) groups are presented. For ReTPA2 the absor... Read More about Excited-State Switching in Rhenium(I) Bipyridyl Complexes with Donor-Donor and Donor-Acceptor Substituents.

Electronic, vibrational, and torsional couplings in N-methylpyrrole: Ground, first excited, and cation states (2021)
Journal Article
Davies, A. R., Kemp, D. J., & Wright, T. G. (2021). Electronic, vibrational, and torsional couplings in N-methylpyrrole: Ground, first excited, and cation states. Journal of Chemical Physics, 154(22), Article 224305. https://doi.org/10.1063/5.0050654

The electronic spectrum associated with the S1 ← S0 (Ã1A2←X̃1A1) one-photon transition of jet-cooled N-methylpyrrole is investigated using laser-induced fluorescence (LIF) and (1 + 1) resonance-enhanced multiphoton ionization (REMPI) spectroscopy; in... Read More about Electronic, vibrational, and torsional couplings in N-methylpyrrole: Ground, first excited, and cation states.