@article{pauly_white_deegbey_fosu_keller_mcguigan_dianat_gabilondo_wong_murphey_et al._2024, title={Coordination of copper within a crystalline carbon nitride and its catalytic reduction of CO<sub>2</sub>}, volume={3}, ISSN={["1477-9234"]}, DOI={10.1039/d4dt00359d}, abstractNote={Crystallites of Cu-coordinated poly(triazine imide) were synthesized by flux methods and deposited from particle suspensions onto electrodes, yielding sizable current densities for the electrocatalytic reduction of CO2.}, journal={DALTON TRANSACTIONS}, author={Pauly, Magnus and White, Ethan and Deegbey, Mawuli and Fosu, Emmanuel Adu and Keller, Landon and Mcguigan, Scott and Dianat, Golnaz and Gabilondo, Eric and Wong, Jian Cheng and Murphey, Corban G. E. and et al.}, year={2024}, month={Mar} }
 @article{mcguigan_fosu_2024, title={Defects orchestrate concerted CO<sub>2</sub> catalysis}, volume={6}, ISSN={["2397-3358"]}, url={https://doi.org/10.1038/s41570-024-00621-2}, DOI={10.1038/s41570-024-00621-2}, journal={NATURE REVIEWS CHEMISTRY}, author={McGuigan, Scott and Fosu, Emmanuel Adu}, year={2024}, month={Jun} }
 @article{fosu_obuah_hamenu_aniagyei_oppong_ainooson_muller_2023, title={Theoretical studies on the reaction mechanisms of the oxidation of tetramethylethylene using MO3Cl (M=Mn, Tc and Re)}, url={http://dx.doi.org/10.1016/j.jmgm.2023.108419}, DOI={10.1016/j.jmgm.2023.108419}, journal={Journal of Molecular Graphics and Modelling}, author={Fosu, Emmanuel Adu and Obuah, Collins and Hamenu, Louis and Aniagyei, Albert and Oppong, Anita and Ainooson, Michael Kojo and Muller, Alfred}, year={2023}, month={May} }
 @article{fosu_obuah_hamenu_aniagyei_oppong_ainooson_muller_2022, title={A DFT study on the reaction mechanisms of the oxidation of ethylene mediated by technetium and manganese oxo complexes}, url={http://dx.doi.org/10.1007/s00894-022-05092-0}, DOI={10.1007/s00894-022-05092-0}, journal={Journal of Molecular Modeling}, author={Fosu, Emmanuel Adu and Obuah, Collins and Hamenu, Louis and Aniagyei, Albert and Oppong, Anita and Ainooson, Michael Kojo and Muller, Alfred}, year={2022}, month={Apr} }
 @article{fosu_obuah_hamenu_aniagyei_ainooson_govender_2021, title={Quantum Mechanistic Studies of the Oxidation of Ethylene by Rhenium Oxo Complexes}, url={http://dx.doi.org/10.1155/2021/7931956}, DOI={10.1155/2021/7931956}, abstractNote={Transition-metal-mediated oxygen transfer reactions are of importance in both industry and academia; thus, a series of rhenium oxo complexes of the type ReO3L (L = O−, Cl−, F−, OH−, Br−, I−) and their effects as oxidation catalysts on ethylene have been studied. The activation and reaction energies for the addition pathways involving multiple spin states (singlet and triplet) have been computed. In all cases, structures on the singlet potential energy surfaces showed higher stability compared to their counterparts on the triplet potential energy surfaces (PESs). Frontier Molecular Orbital calculations show electrons flow from the HOMO of ethylene to the LUMO of rhenium for all complexes studied except ReO4− where the reverse case occurs. In the reaction between ReO3L (L = O−, Cl−, F−, OH−, Br−, and I−) and ethylene, the concerted [3 + 2] addition pathway on the singlet PES leading to the formation of dioxylate intermediate is favored over the [2 + 2] addition pathway leading to the formation of a metallaoxetane intermediate and subsequent rearrangement to the dioxylate. The activation and the reaction energies for the formation of the dioxylate on the singlet PES for the ligands studied followed the order O− > OH− > I− > F− > Br− > Cl− and O− > OH− > F− > I− > Br− > Cl−, respectively. Furthermore, the activation and the reaction energies for the formation of the metallaoxetane intermediate increase in the order O− > OH− > I− > Br− > Cl− > F− and O− > Br− > I− > Cl− > OH− > F−, respectively. The subsequent rearrangement of the metallaoxetane intermediate to the dioxylate is only feasible in the case of ReO4−. Of all the complexes studied, the best dioxylating catalyst is ReO3Cl (singlet surface) and the best epoxidation catalyst is ReO3F (singlet surface).}, journal={Journal of Chemistry}, author={Fosu, Emmanuel Adu and Obuah, Collins and Hamenu, Louis and aniagyei and Ainooson, Michael Kojo and Govender, Krishna}, year={2021}, month={Aug} }