This project deals with the use of metal-based fused diporphyrins as electrocatalysts for HER reduction. The objectives of the proposed work are as follows:

Synthesis of metal complexes (Cu, Ni) of substituted free base monoporphyrin derivatives bearing hydrophilic groups at the periphery (-CO2CH3, tert-butyl groups).

Synthesis of fused diporphyrins from respective monoporphyrin derivatives. Elucidation of their geometric and electronic structures through electrochemical, spectroscopic, and X-ray diffraction analyses.

Evaluation of the catalytic activity of the metal complexes in HER reduction in non-aqueous mediums.

Quantification of electrocatalytic efficiency, and elucidation of mechanistic pathway to develop structure-activity correlations.

Elucidation of the mechanistic pathway to determine the active intermediates.

Origin, 2019b

Chemdraw, 21.0.0

MestReNova, 14.1.2-25024

Chemcraft, b536b

Easyspin, 5.2.35