Web Mail // Telephone Directory // Academic Calendar

CCMM Group

Computational Chemistry and Molecular Modelling


Dr. Debasis Koley

Professor
Department of Chemical Sciences
Indian Institute of Science Education and Research (IISER) Kolkata
Mohanpur-741 246, India
E-mail: koley@iiserkol.ac.in debakmpi@gmail.com
Phone: Office: +91-33-66340000 (Extn: 1237)
Lab: +91-33-66340000 (Extn: 1455)



 Professional Experience:

  • Postdoctoral Fellow in Max-Planck-Institute for Biophysical Chemistry, Göttingen, Germany (2006-2008)
  • Centenary Postdoctoral Fellow (Department of Inorganic and Physical Chemistry) in Indian Institute of Science (IISc), Bangalore, India (2009-2010)
  • Assistant Professor, Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (2011-2015)
  • Associate Professor, Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (2015-2019)
  • Professor, Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, India (2019-present)

 Education:

  • B.Sc. (Chemistry Honours): Ramakrishna Mission Vidyamandira, Belur Math, University of Calcutta, 1999
  • M.Sc. (Chemistry): Indian Institute of Technology Delhi, New Delhi, India, 2001
  • Ph.D. (Computational Chemistry): Max-Planck-Institute for Coal Research, Mülheim an der Ruhr, Germany, 2005

 Selected Publications:


    • Entering Chemical Space with Theoretical Underpinning of the Mechanistic Pathways in the Chan-Lam Amination, ACS Catal. 2022, 12, 1461-1474.
    • Computational Exploration of Mechanistic Avenues in Metal-Free CO2 Reduction to CO by Disilyne Bisphosphine Adduct and Phosphonium Silaylide, Chem. Asian. J. 2021, 16, 3492-3508. [VIP Article]
    • Computational Investigation of Multifaceted Cationic Rearrangement and Stereo- and Regioselectivity in the Formation of Dysideanone’s Analogues, J. Org. Chem. 2021, 86, 1133-1140.
    • N-Heterocyclic Carbene-Stabilized Germa-acylium Ion: Reactivity and Utility in Catalytic CO2 Functionalizations, J. Am. Chem. Soc. 2020, 142, 15403-15411.
    • Dinuclear PdI Catalysts in Equilibrium Isomerizations: Mechanistic Understanding, in Silico Casting, and Catalyst Development, ACS Catal. 2020, 10, 4517-4533.
    • Computational Exploration of Mechanistic Avenues in C-H Activation Assisted Pd-Catalyzed Carbonylative Coupling, J. Org. Chem. 2019, 84, 257-272.
    • Computational Investigation of Carbene-Phosphinidenes: Correlation between 31P Chemical Shifts and Bonding Features to Estimate the π-Backdonation of Carbenes, Inorg. Chem. 2018, 57, 3993-4008.
    • Mechanistic Exploration of the Transmetalation and Reductive Elimination Events from Pd(IV)-abnormal NHC Complexes in Suzuki-Miyaura Coupling: A DFT Study, Chem. Eur. J. 2018, 24, 6155-6168.
    • DFT Study on C-F Bond Activation by Group 14 Dialkylamino Metalylenes: A Competition between Oxidative Additions versus Substitution Reactions, Inorg. Chem. 2017, 56, 10633-10643.
    • Estimation of σ-Donation and π-Backdonation of Cyclic Alkyl(amino)Carbene-Containing Compounds, Inorg. Chem. 2016, 55, 163-169.
    • Computation Study of the Mechanism and Selectivity of Ruthenium-Catalyzed Hydroamidations of Terminal Alkynes, Chem. Sci. 2015, 6, 2532-2552.
    • Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride, J. Am. Chem. Soc. 2014, 136, 9568-9571.
    • C4 Cumulene and the Corresponding Air-Stable Radical Cation and Dication, Angew. Chem. Int. Ed. 2014, 53, 4168-4172.
      •

Flag Counter Since February 25, 2019

News and Updates

    img January, 2022

    Acceptance of our paper on Entering Chemical Space with Theoretical Underpinning of the Mechanistic Pathways in the Chan-Lam Amination in ACS. Catalysis Congrats Sanjoy and Sayan!

    img December, 2021

    Congratulations to Sayan for his successful thesis defense.

    img December, 2021

    Congratulations to Sriman for submission of his thesis

    img August, 2020

    Acceptance of our paper on reactivity and utility of NHC-Stabilized germa-acylium ion in Catalytic CO2 functionalizations in J. Am. Chem. Soc. Congrats Sayan!

    img August, 2020

    Acceptance of our paper on cAAC-stabilized aluminum and gallium radicals in Inorg. Chem. Congrats Sanjoy!

    img March, 2020

    Acceptance of our paper on dinuclear palladium catalysts in equilibrium isomerizations in ACS Catal. Congrats Sriman!

    img January, 2020

    Kalyan Singh has joined in CCMM group as a Junior Research Fellow.

    img January, 2020

    Acceptance of our paper on carbene-borane and carbene-alane compounds in Eur. J. Inorg. Chem. Congrats Sayan!

Main Gate of IISER Kolkata