Project Highlights
Mechanistic Insight Guided Rational Design of Iron-Catalyzed Asymmetric Multicomponent Cross-Coupling Strategies
(a) Spearheading the development of an innovative, asymmetric iron-catalyzed three-component cross-coupling reaction to produce medicinally valuable chiral boronic esters.
(b) Integrating advanced techniques, including organic synthesis, Density Functional Theory (DFT), and Mössbauer spectroscopy, to uncover key mechanistic insights.
(c) Leveraging mechanistic insights to design and develop new strategies for asymmetric iron-catalysis, enabling experimental advancements.
(a) Spearheading the development of an innovative, asymmetric iron-catalyzed three-component cross-coupling reaction to produce medicinally valuable chiral boronic esters.
(b) Integrating advanced techniques, including organic synthesis, Density Functional Theory (DFT), and Mössbauer spectroscopy, to uncover key mechanistic insights.
(c) Leveraging mechanistic insights to design and develop new strategies for asymmetric iron-catalysis, enabling experimental advancements.
Harnessing the Symbiotic Potential of Computation & Experiment in Elucidation of Reaction Mechanisms
(a) Utilizing advanced computational tools, including density functional theory (DFT), Molecular Dynamics (MD), and multireference methods, to deepen the understanding of complex organic & organometallic reaction mechanisms.
(b) Collaborated with leading experimental research groups worldwide, including the Martin group (ICIQ, Spain), Fleming group (Drexel University), Scheidt group (Northwestern University) , Thomas and Powers groups (Texas A&M University), Levin group (University of Chicago) , and Wickens group (University of Wisconsin-Madison).
(c) Contributed to high-impact research that resulted in several co-authored publications (15 so far), showcasing potential for a productive synergy between computational and experimental approaches.
(a) Utilizing advanced computational tools, including density functional theory (DFT), Molecular Dynamics (MD), and multireference methods, to deepen the understanding of complex organic & organometallic reaction mechanisms.
(b) Collaborated with leading experimental research groups worldwide, including the Martin group (ICIQ, Spain), Fleming group (Drexel University), Scheidt group (Northwestern University) , Thomas and Powers groups (Texas A&M University), Levin group (University of Chicago) , and Wickens group (University of Wisconsin-Madison).
(c) Contributed to high-impact research that resulted in several co-authored publications (15 so far), showcasing potential for a productive synergy between computational and experimental approaches.