Photocatalysis

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• We study the mechanisms of transition-metal photocatalysis using a combined computational and experimental approach.

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• We integrate Marcus theory with DFT to compute reorganization energies and electron transfer rates, quantifying photocatalyst activation efficiency across outer- and inner-sphere pathways — bridging electronic structure with kinetic theory to establish predictive structure–activity relationships.

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• We investigate triplet-state promoted phosphine isomerization and orthometalation processes, examining how excited-state dynamics govern reactivity and selectivity in photoactive metal complexes.

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       M. S. Harariya, N. Senkuttuvan, B. Borah, G. Jindal, Inorg. Chem. 2026.

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