Research Interest

Computational Organic Chemistry, Computational Asymmetric Catalysis, Heterobimetallic Catalysis, Enzyme Catalysis, Catalyst Design.

  Academic Background

Ph.D.: Indian Institute of Technology Bombay, Mumbai, India. (Advisor: Prof. Raghavan. B. Sunoj)
M.Sc.: Banaras Hindu University, Varanasi, Uttar Pradesh, India.
Integrated B.Sc.B.Ed.: Regional Institute of Education, Bhubaneswar, Odisha, India.

  Professional Experience

Assistant Professor, Department of Chemistry, IIT Bhilai, Raipur, Chhattisgarh, India, 10th March 2023-Continuing.
Assistant Professor, Department of Chemistry, IIT Patna, Bihar, India, 3rd January 2023-9th March 2023.
Assistant Professor, Department of Chemistry, Utkal University, Odisha, India, 17th December 2014-2nd January 2023.
Postdoctoral Research Fellow, The Hebrew University of Jerusalem, Israel, 18th August 2019-26th August 2020 ( Advisor: Prof. Sason Shaik).

  Sponsored projects:

TitlePrincipal InvestigatorSponsored byStatus
Transition State Modeling on Cooperative Multi- Catalytic Asymmetric Reactions Dr. Hemanta Kumar Kisan Government of Odisha Science and Technology Department Ongoing
Understanding P450 Enzyme Catalysis and harnessing the Origin of Selectivity for Enzyme/Biomimetic Catalyst Design using DFT and QM/MM Computation Dr. Hemanta Kumar Kisan Utkal University, Odisha under WB-OHEPEE Programme Ongoing


Institute Excellence in PhD Thesis Award 2017."Indian Institute of Technology Bombay, Mumbai, India"
Junior Research Fellowship 2010, Council of Scientific and Industrial Research (CSIR), Government of India.

  Selected Publications


1) Jena, S.; Tulsiyan, K. D.; Kar, R. K.; Kisan, H. K.; Biswal H. S. "Doubling Forster Resonance Energy Transfer Efficiency in Proteins with Extrinsic 2-Thioamide Probes: Implications to Thio-modified Nucleobases." Chem. Eur. J. 2021, 27, 4373.
2) Kumar, A.;Kisan, H. K.; Huynh, H. V. "Reactivity Studies and Electronic Properties of an N-Arylated Acyclic Amino Carbene." Organometallics 2021, 40, 1699.
3) Pradhan, K. C.; Kisan, H. K.; Pal, S."Unexpected ortho C-H bond activation in coordinated 7,8-benzoquinoline: Synthesis and characterisation of heteroleptic Ir(III)-7,8-benzoquinoline complexes." RSC Adv. 2021, 11, 12578.
4) Kalita, S.; Shaik, S.; Kisan, H. K.; Dubey, K. D. "A Paradigm Shift in the Catalytic Cycle of P450-The Preparatory Choreography During O2 Binding, and Origins of the Necessity for Two Protonation Pathways." ACS Catal., 2020, 10, 11481.
5) Pareek, S.; Jain, D.; Hussain, S.; Biswas, A.; Shrivastava, R.; Parida, S. K.; Kisan, H. K.; Lgaz, H.; Chung, I.-M.; Behera, D."A New Insight into Corrosion Inhibition Mechanism of Copper in Aerated 3.5% (by weight) NaCl Solution by Eco-friendly Imidazopyrimidine Dye: Experimental and Theoretical Approach." Chemical Engineering Journal 2019, 358, 725.
6) Kisan, H. K.; Sunoj, R. B. "Insights on the Origin of Regiodivergence in the Parallel Kinetic Resolution of rac-Aziridines using a Chiral Lanthanum-Yttrium Bimetallic Catalyst." ACS Catal., 2018, 8, 7633.
7) Kisan, H. K.; Sunoj, R. B. "Asymmetric Cooperative Catalysis in a Three-Component Reaction: Mechanism and Origin of Enantio- and Diastereoselectivities." Org. Lett. 2016, 18, 3746.
8) Kisan, H. K.; Sunoj, R. B. "Axial Coordination Dichotomy in Dirhodium Carbenoid Catalysis: A Curious Case of Cooperative Asymmetric Dual-Catalytic Approach toward Amino Ester." J. Org. Chem. 2015, 80, 2192.
9) Jindal, G.; Kisan, H. K.; Sunoj, R. B. "Mechanistic Insights on Cooperative Catalysis through Computational Quantum Chemical Methods." ACS Catal., 2015, 5, 480.
10) Kisan, H. K.; Sunoj, R. B. "Deciphering the Origin of Cooperative Catalysis by Dirhodium Acetate and Chiral Spiro Phosphoric Acid in an Asymmetric Amination Reaction." Chem. Commun., 2014, 50, 14639.
11) Kolay, S.; Wadawale, A.; Das, D.; Kisan, H. K.; Sunoj, R. B.; Jain, V. K. "Cyclopalladation of dimesityl selenide:synthesis, reactivity, structural characterization, isolation os an intermediate complex with C-H...Pd intra-molecular interaction and computational studies." Dalton Trans., 2013, 42, 10828.

Message From Director

I am pleased to extend my greetings to students and their parents as well as colleagues near and far. IIT Bhilai was established on 7 August 2016. We are located in Chhattisgarh, the rice bowl of India, in a state rich in natural resources as well as cultural memory and heritage. Read More


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