Our research interests are organocatalysis and organometallic reactions for the asymmetric and symmetric synthesis of highly important bioactive motifs and useful materials at the interface of experimental organic synthesis and computational chemistry. Developing organic methodologies using both synthetic and computational investigations is a substantial priority to predict and design new efficient reactions, reagents, and catalysts. Understanding and developing photochemical synthesis and processes are of high interest to us, and we are collaborating with Prof. Sami Lakhdar.

Currently Active Research Areas:

1. 1. Mediated Electro-Reductive Process: We are currently engaged in a collaborative research effort with Professor Richard Brown (University of Southampton) where our focus lies in utilizing Density Functional Theory (DFT) computations to offer a comprehensive understanding and rationale behind the mechanism of his mediated electro-reductive cyclisation, along with exploring its applications in various other reactions. By employing advanced computational techniques, we aim to elucidate the intricacies of these chemical processes, shedding light on their underlying mechanisms and potential synthetic pathways. This collaborative endeavor not only enhances our understanding of fundamental chemical reactions but also holds promise for the development of innovative methodologies in organic synthesis 

   2. Metal-oxo reactions: By using computations we are investigating the Mn, Os, and Ru-mediated oxidative cyclization of 1,5-dienes to understand the role of metal-oxo intermediates in these reactions. We aim to develop new and efficient synthetic methods for the construction of complex molecules using this approach.

   3. Gold(I)-catalyzed reactions: Our focus is provide a computational understanding of the mechanistic pathways and factors that control reactivity in these reactions. We are particularly interested in the role of ligands and counteranions in promoting reactivity, selectivity and enantioselectivity/regioselectivity/chemoselectivity. 

   4. Photoinduced synthesis: In collaboration with Prof. Sami Lakhdar we aim to develop new synthetic methods that take advantage of photochemical processes through understanding of photochemical processes in organic synthesis, including photoisomerization, photocyclization, and photooxidation/photoreduction. 

   5. Bi(III)/Bi(V)-catalyzed reactions: We are computationally developing mechanistic pathways that lead to new reactivity in organic synthesis by investigating the use of Bi(III)/Bi(V) catalysts for the synthesis of complex molecules, such as natural products and pharmaceuticals. 

   6. Pd-catalyzed reactions: Our research in this area provides a mechanistic understanding of cross-coupling reactions for the synthesis of complex molecules, including natural products, pharmaceuticals, and thermally activated delayed fluorescence (TADF). 

   7. N-Heterocyclic carbene (NHC)-catalyzed reactions: Our research in this area focuses on exploring the use of NHCs as ligands for various metal-catalyzed transformations to comprehensively understand the electronic and steric effects of close and remote substituents on NHCs, leading to develop more efficient and sustainable catalytic processes for organic synthesis.