Dr. Amrendra K. Singh

Associate Professor

1D-423, POD Building
Email: aks[at]iiti.ac.in
Phone: +91 731 660 3185

Group Website

Research Interests

The research activities in my group fall under the broad domain of inorganic and organometallic chemistry and catalysis. My group focuses on designing new pincer and N-heterocyclic carbene ligands and their transition metal complexes capable of the following type of reactivities:

  • Small molecule activation
  • C-H activation and functionalisation

Investigation of fundamental aspects of these activities and their mechanisms are carried out for the potential application in the development of renewable energy and sustainable chemical processes, including the following:

  • CO2 capture, functionalisation, and reduction
  • H2 production, storage, and transportation
  • Development of Liquid Organic Hydrogen Carriers (LOHCs)
  • Catalytic systems for hydrogenation/dehydrogenation reactions
  • Catalytic systems for C-C, C-N, and C-O bond-forming reactions

Selected Publications

  • Srivastava, N.; Singh, A. K. Protic- or anionic-NHCs with classical-NHC in a single [Ru(CNC)(PPh3)2Cl]Cl pincer complex: Direct comparison of structure & electronic properties and heterolytic H2 splitting. Dalton Trans., 2024, 53, 6870-6874(Communication)
  • Nath, S.; Yadav, E.; Raghuvanshi, A.; Singh, A. K. Mechanistic Insights and Comparative Analysis of Ru(II)-NNC Pincer Complexes with Anionic-, Protic-, and Classical-NHCs for Transfer Hydrogenation of Ketones. Catal. Sci. Technol., 2023, 13, 7085.
  • Singh, R. K.; Yadav, D.; Misra, S.; Singh, A. K. Role of Ancillary Ligands in Selectivity Towards Acceptorless Dehydrogenation versus Dehydrogenative Coupling of Alcohols and Amines Catalyzed by Cationic Ruthenium(II)-CNC Pincer Complexes. Dalton Trans., 2023, 58, 15878.
  • Singh, R. K.; Yadav, D.; Singh, A. K. Cationic Ruthenium(II)-CNC Pincer Complexes as Phosphine-free Catalysts for Nitrile Hydration to Amides in Aqueous Medium. Mol. Catal., 2023549, 113523.
  • Nath, S.; Yadav, E.; Raghuvanshi, A.; Singh, A. K. Ru(II) Complexes with Protic- and Anionic-Naked-NHC Ligands for Cooperative Activation of Small Molecules. Chem. Eur. J., 2023, 29, e202301971(Author share link)
  • Shahid, N.; Singh, R. K.; Srivastava, N.; Singh, A. K. Base-Free Synthesis of Benchtop Stable Ru(III)-NHC Complexes from RuCl3·3H2O and Their Use as Precursors for Ru(II)-NHC Complexes. Dalton Trans., 2023, 52, 4176(Preprint version – free access)