Research Projects
The Ogba Lab combines computational tools with physical organic concepts to design new catalysts and unravel complex reaction mechanisms.
Metal-Free Carbones
We are exploring the unique reactivity of carbones (L₂C) as metal-free catalysts. Unlike traditional carbenes, carbones possess two lone pairs at the central carbon atom, allowing for unique activation modes.
Our current work focuses on hydroboration reactions, using computational methods to understand how strain and π-acidity influence catalytic efficiency.
Sulfur-Fluoride Exchange (SuFEx)
SuFEx is a powerful "click" chemistry tool, but the precise mechanisms often remain debated. We utilize Density Functional Theory (DFT) to map the transition states of SuFEx activation.
Recent work includes mechanistic insights into calcium bistriflimide-mediated SuFEx pathways, helping experimentalists optimize conditions for instigating catalysis.
Computational Methodologies
Beyond specific reactions, we are interested in developing machine-learning, data science, and statistical techniques for analyzing large datasets of reaction coordinates, identifying predictive descriptors for chemical reactivity.