Prof. Sabyasachi Sarkar

Honorary Visiting Professor, CHST

 Nano Science and Synthetic Leaf Laboratory, Downing Hall

Indian Institute of Engineering Science and Technology, Shibpur

Former Senior Professor and Head, Dept. of Chemistry, IIT, Kanpur

Theoretical work

Model active site-substrate interactions are correlated with electrostatic potential , DFT and ab initio computational calculations wre carried out to understand electronic population in metalloporphyrins, related porphyrinogens; active sites of molybdo and tungsto -enzymes, model compounds and in vivo enzymatic reactions with inhibition reactions. Reaction mechanism, predicting the intermediate species geometry,transition states are also evaluated.TD-DFT with solvent correction to predict the electronic transition and ESIPT phenomenon of chemodosimeter were routinely made.