Elena Jakubikova

Area(s) of Expertise

Computational studies of ground and excited state properties of inorganic compounds. Our primary focus is on obtaining a deeper understanding of light-induced processes, such as excited-state electron transfer and nonradiative decay, in first-row transition metal complexes.

Publications

• Photophysical Characterization and Excited State Dynamics of Decamethylruthenocenium , JOURNAL OF PHYSICAL CHEMISTRY A (2025)
• Shining light on the ferrous analogue: excited state dynamics of an Fe(ii) hexa-carbene scorpionate complex , DALTON TRANSACTIONS (2025)
• Coordination of copper within a crystalline carbon nitride and its catalytic reduction of CO₂ , DALTON TRANSACTIONS (2024)
• Electronic Structure and Photophysics of Low Spin d⁵ Metallocenes , INORGANIC CHEMISTRY (2024)
• Enter Mn^IV-NHC: A Dark Photooxidant with a Long-Lived Charge-Transfer Excited State , JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2024)
• Increasing excited state lifetimes of Cu(i) coordination complexes via strategic surface binding , INORGANIC CHEMISTRY FRONTIERS (2024)
• Adaptive basis sets for practical quantum computing , INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2023)
• Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited , CHEMICAL SCIENCE (2023)
• Isocyanide Ligands Promote Ligand-to-Metal Charge Transfer Excited States in a Rhenium(II) Complex , INORGANIC CHEMISTRY (2023)

View all publications