Research Interests


Transition-Metal Photoredox CatalysisIn our lab, we combine experimental techniques with computational modeling tools to understand and solve challenging issues in transition-metal photoredox catalysis. Our approaches range from organic and inorganic synthesis, molecular spectroscopy, electrochemistry, photochemistry to quantum chemical methods, providing flexibility to tackle challenging problems from multiple angles. By manipulating the ligands of transition metal catalysts and reaction conditions, we aim to explain how the pre-catalysts are converted by light or electric potential into catalytically active species and understand the relationship between their electronic structure and reactivity, stability, and speciation. The emphasis is placed on understanding the reaction mechanisms to improve the state-of-the-art catalysts or to design new, more efficient and selective systems for applications in sustainable organic synthesis and energy research.

Recent Publications


Toward liquid cell quantum sensing: Ytterbium complexes with ultranarrow absorption Shin, A. J.; Zhao, C.; Shen, Y.; Dickerson, C. E.; Li, B.; Roshandel, H.; Bím, D.; Atallah, T. L.; Oyala, P. H.; He, Y.; Alson, L. K.; Kerr, T. A.; Alexandrova, A. N.; Diaconescu, P. L.; Campbell, W. C.; Caram, J. C. Science 2024, 385, 651–656.
Mechanisms of Photoredox Catalysis Featuring Nickel–Bipyridine Complexes Cagan, D. A.; Bím, D.; Kazmierczak, N. P.; Hadt. R. G. ACS Catal. 2024, 14, 9055–9076.
Light Activation and Photophysics of a Structurally Constrained Nickel(II)–Bipyridine Aryl Halide Complex Bím, D.; Luedecke, K. M.; Cagan, D. A.; Hadt, R. G. Inorg. Chem. 2024, 63, 4120-4131.
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About Daniel


My scientific journey started at the Department of Organic Chemistry at UCT Prague, focusing on the synthesis of polyazamacrocyclic compounds, useful as ligands in transition metal complexes. However, early on in my career, I started to appreciate the importance of interdisciplinary research as the way to understand in detail the relationship between molecular structure and function. My Ph.D. research at Charles University, thus, expanded into learning quantum chemistry, particularly with application to electrochemistry, probing redox-active transition metal complexes, and metalloenzymes' reaction mechanisms. After completing Ph.D., I moved to the United States, where I further deepened my understanding of advanced theoretical methods at the University of California, Los Angeles (UCLA). Under the guidance of Prof. Anastassia N. Alexandrova, I investigated the effects of metalloenzyme's internal electric fields on their structure and reactivity. Next, I received a Marie Sklodowska-Curie Individual Fellowship and moved to California Institute of Technology (Caltech), where I explored the photochemistry and photophysics of transition metal complexes relevant for photoredox catalysis, employing a diverse range of experimental and computational tools.

Now, back at UCT Prague, my group integrates photochemistry and electrochemistry with quantum chemical calculations to innovate homogeneous transition metal catalysts for new applications in catalysis and energy research.Full CV