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INDIAN INSTITUTE OF TECHNOLOGY PALAKKAD
Kanjikode | Palakkad | Kerala - 678623
0491 209 2001 (Office) | info@iitpkd.ac.in

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Dr. Rositha Kuniyil
Assistant Professor
Chemistry
Research Area: computational chemistry, photocatalysis, insilico catalyst design, small molecule activation, asymmetric catalysis and design of artificial metalloenzymes
View Website
  • Biosketch

    Assistant Professor - IIT Palakkad : June 2021 - Present

    Research Experience

    University of Pittsburgh, USA (Advisor: Prof. Peng Liu) : Nov. 2020 - June 2021

    Georg-August Universität Göttingen, Germany (Advisor: Prof. Lutz Ackermann) : June 2018 - Oct. 2020 

    Education

    PhD - Institut Català d'Investigació Química (ICIQ), Barcelona Institute of Science and Technology (BIST), Spain (Advisor: Prof. Feliu Maseras) : 2013 - 2017

    EU-COST International Shortstay - Heriot-Watt University, Scotland, UK (Advisor: Prof. Stuart Macgregor) : 2015

    MSc in Chemistry - IIT Bombay, India (Advisor: Prof. R. B. Sunoj) : 2011 - 2013

  • Research

    Mechanistic understanding of the catalytic reaction has been an important and active field of research in computational organic chemistry. The quantum mechanical understanding of  catalytic reactions enable us to design new catalyst and predict new reaction mechanisms. Currently, in silico catalyst design is of great interest in generating the key structural motifs in highly demanding natural products and pharmacophores. We employ state-of-the art computational techniques of quantum mechanics and molecular mechanics to gather an electronic-level understanding of the inherent mechanistic details of various reactions ranging from small-molecule activation, asymmetric catalysis, bio mimetic reactions, C-H activation, etc. These findings will drive the way for us to design novel organo- and transition metal catalytic systems and artificial metalloenzymes, which aligns with our environmentally benign and economically attractive research motto for the generation of molecules of our interest. 

  • Teaching

    CY5015 - Atomic and Molecular Structure (2021, 2022, 2023)

    CY1140 - BTech Chemistry Lab (2024)

    CY1021 - Theoretical and Inorganic Chemistry

    CY1040 - BTech Chemistry Lab 

    CY1040 - Basic Chemistry for Engineers (2023,2024)

  • Research Group

    Dr. Surya K - Research Assistant (PhD from IIT Bombay)

    Abra Mathew - PhD ( MSc from MG University)

    Krishnapriya A. U - PhD (MSc from Central University of Tamil Nadu)

    Vishnu Suresh - PhD (MSc from Calicut University)

    Ballineni Prasad - PhD (MSc from Central University of Kerala)

    George Samuel J - Project Student (IIT Palakkad)

    Fiza Fariha - Project Student (IIT Palakkad)

    Dheeraj Kumar - Project Student (IIT Palakkad)

    Megha S - Project Student (IIT Palakkad)

    Alumni

    Munaifa Arif - MSc Project Student (CUSAT)

    Mis Ab V. P - Internship Student (IIT Palakkad)

    Shubham Gupta -  MSc Project Student (IIT Palakkad)

    Shahma P K - Internship Student (IISER Tirupati)

    Vijay Mahajan - Internship Student (ICT, Mumbai)

    Athul S. B - Research Assistant (IISER-TVM)

    Majma K - Summer Intern (IISER - TVM)

    Jibin Thomas - Summer Intern (IISER - TVM)

    Nikhil Mondal - MSc Student (IIT Palakkad)

    Sujoy Kumar Sarkar - MSc Student (IIT Palakkad)

    Basila Hassan - MSc Project Student (Farook College)

    Aleena Raihan - MSc Project Student (Farook College)

    Vidya Viswanath - MSc Project Student (MG University)

  • Additional Information
    Title
    Funding
    Description

    Institute Seed Grant

    DST-SERB Start-up Research Grant (SRG) 2022

    MHRD - Scheme for Transformational and Advanced Research in Sciences (STARS) Grant 2023

  • Publications
    ’Regioselective 1,2-Alkylboration of Benzylidenecyclopropanes: Access to Csp3-Enriched Cyclopropyl Boronic Esters
    Mondal, P.; Nair, A.;' Megha, S.;' Chungath, A.;' Suman, S.; Kuniyil, R.;* Sahoo, B.*
    Org. Lett (2024)
    ’Exploiting N-Centered Umpolung Reactivity of α-Iminomalonates for the Synthesis of N-Sulfenylimines and Sulfonamides
    Roy, S.; Krishnapriya, A. U.;' Chakraborty, Arijit.;' Kuniyil, R.;* Chatterjee, I.*
    Org. Lett (2024)
    ’Cross-coupling between Aryl Halides and Aryl Alkynes Catalyzed by an Odd Alternant Hydrocarbon
    Sil, S.; Krishnapriya, A. U.; Mandal, P.; Kuniyil, R.;* Mandal, S. K.*
    Chem. Eur. J (2024)
    Selective Synthesis of Functionalized Linear Aliphatic Primary Amines via Decarboxylative Radical Polar Crossover Process
    Cauwenbergh, R.; Sahoo, P.; Maity, R.; Matthew, A.; Kuniyil, R.; Das, S.*
    Green Chem. (2023)
    Redox-Neutral Decarboxylative Cross-Coupling of Oxamates with Arylbromides
    Bisoy. A.; Simhadri, V.; Surya, K.; Kuniyil, R.;* Yatham, V. R.*
    ACS Org Inorg Au. (2023)
    Redox-Neutral Radical Cascade Cyclization of N-Arylacrylamides with Unactivated Alkyl and Aryl Chlorides
    Jha, A. K.; Nair, D. P.; Munaifa, A.; Yedase, G.; Kuniyil, R.;* Yatham, V. R.*
    J. Org. Chem (2023)
    Copper(I)-Catalyzed Decarboxylative N-Phosphorylation: Modular Preparation of N-Acyl Iminophosphoranes Using Dioxazolones and Phosphines​​
    Park, J.;' Krishnapriya, A. U.;' Park, Y.; Kim, M.; Reidl, T. W.; Kuniyil, R.;* Son, J.* ('Authors contributed equally)
    Adv. Synth. Catal. 2023 (2023)
    Amine-rich Nickel(II)-Xerogel as a Highly Active Bifunctional Metallo-organo Catalyst for Aqueous Knoevenagel Condensation and Solvent-free CO2 Cycloaddition
    Saha, E.; Jungi, H.; Dabas, S.; Mathew, A.; Kuniyil, R.;* Subramanian, S.;* Mitra, J.*
    Inorg. Chem (2023)
    Photocatalytic Hydro Tri/Difluoromethylation of Alkenes with Bench Stable Tri/Difluoro Methylating Reagents
    Girish, Y.; Munaifa, A.; Kuniyil, R.;* Yatham, V. R.*
    Org. Lett. (2023)
    Dynamic Kinetic Stereoselective Glycosylation via Rh(II) and Chiral Phosphoric Acid-Cocatalyzed Carbenoid Insertion to Anomeric OH Bond for the Synthesis of Glycoconjugates
    Wu, J.; Jia, P.; Kuniyil, R.; Liu, P.; Tang, W.
    Angew. Chem. Int. Ed (2023)
    Ruthenium-Catalyzed Selective α-Alkylation of β-Naphthols using Primary Alcohols: Elucidating the Influence of Base and Water
    Sankar, R. V.; Mathew, A.; Pradhan, S.; Kuniyil, R.;* Gunanathan, C.*
    Chem. Eur. J. (2023)
    Generation of Photoinduced Phenalenyl-Based Radical: Towards Designing Reductive C-C Coupling Catalysis
    Datta, P.; Goswami, T.; Kandoth, N.; Banik, A.; Ahmed, J.; Bhaskaran, A. S.; Saha, R.; Kuniyil, R.; Ghosh, H. N.; Mandal, S. K
    ChemPhotoChem (2023)
    Reduced-Phenalenyl-Based Molecule as a Super Electron Donor for Radical-Mediated C–N Coupling Catalysis at Room Temperature
    Sil, S.; Bhaskaran, A. S.; Chakraborty, S.; Singh, B.; Kuniyil, R.;* Mandal, S. K*
    J. Am. Chem. Soc. 2022 144 22611–22621 (2022)
    Understanding the unique reactivity patterns of nickel/JoSPOphos manifold in the nickel-catalyzed enantioselective C–H cyclization of imidazoles
    Liu, J. B.; Wang, X.; Messinis, A. M.; Liu, X. J.; Kuniyil, R.; Chen, D. Z.; Ackermann, L.
    Chem. Sci. 12 718-729 (2021)
    Rhodaelectro-catalyzed chemo-divergent C–H activations with alkylidene cyclopropanes for selective cyclopropylations
    Shen, Z.; Maksso, I.; Kuniyil, R.; Rogge, T.; Ackermann, L.
    Chem. Commun. 57 3668-3671 (2021)
    Electrocatalytic C–H phosphorylation through nickel (III/IV/II) catalysis
    Zhang, S. K; Vecchio, A. D.; Kuniyil, R.; Messinis, A. M.; Lin, Z.; Ackermann, L.
    Chem 7 1379-1392 (2021)
    Nickel-Catalyzed Dearomative Arylboration of Indoles: Regioselective Synthesis of C2-and C3-Borylated Indolines
    Trammel G. R.; Kuniyil, R.; Crook. P. F.; Liu. P.; Brown, M. K.
    J. Am. Chem. Soc. 143 16502–16511 (2021)
    Recyclable Ruthenium Catalyst for Distal meta-C–H Activation
    Choi, I.; Müller, V.; Wang, Y.; Xue, K.; Kuniyil, R.; Andreas, L. B.; Karius, V.; Alauzun, J. G.; Ackermann, L.
    Chem. Eur. J. 26 15290 (2020)
    Electrochemical B–H Nitrogenation: Access to Amino Acid and BODIPY-Labeled nido-Carboranes
    Yang, L.; Jei, B. B.; Scheremetjew, A.; Kuniyil, R.; Ackermann, L.
    Angew. Chem. Int. Ed. 60 1482-1487 (2020)
    Catalyst-Free, Direct Electrochemical Synthesis of Annulated Medium-Sized Lactams through C‒C Bond Cleavage
    Xu, Z.; Huang, Z.; Li, Y.; Kuniyil, R.; Zhang, C.; Ackermann, L.; Ruan, Z.
    Green Chem. 22 1099-1104 (2020)
    Late-Stage Diversification by Selectivity Switch in meta-C–H Activation: Evidence for Singlet Stabilization
    Massignan, L.; Tan, X.; Meyer, T. H.; Kuniyil, R.; Messinis, A. M.; Ackermann, L.
    Angew. Chem. Int. Ed. 59 3184-3189 (2020)
    C−H Oxygenation Reactions Enabled by Dual Catalysis with Electrogenerated Hypervalent Iodine Species and Ruthenium Complexes
    Massignan, L.; Tan, X.; Meyer, T. H.; Kuniyil, R.; Messinis, A. M.; Ackermann, L.
    Angew. Chem. Int. Ed. (59) 3184-3189 (2020)
    Domino C–H Activation/Directing Group Migration/Alkyne Annulation: Unique Selectivity by d6-Cobalt(III) Catalysts
    Zhu, C.; Kuniyil, R.; Jei, B. B.; Ackermann, L.
    ACS Catal. 10 4444-4450 (2020)
    Regioselective B(3,4)–H Arylation of o-Carboranes by Weak Amide Coordination at Room Temperature
    Liang, Y.-F.; Yang, L.; Jei, B. B.; Kuniyil, R.; Ackermann, L.
    Chem. Sci. 11 10764-10769 (2020)
    Aza-Ruthena(II)-Bicyclo- [3.2.0]-Heptadiene: Key Intermediate for Ruthenaelectro(II/III/I)-Catalyzed Alkyne Annulations
    Yang, L.; Steinbock, R.; Scheremetjew, A.; Kuniyil, R.; Finger, L. H.; Messinis, A.; Ackermann, L.
    Angew. Chem. Int. Ed. 59 11130-11135 (2020)
    Insights into Ruthenium(II/IV)-Catalyzed Distal C–H Oxygenation by Weak Coordination
    Bu, Q.; Kuniyil, R.; Zhigao, S.; Gońka, E.; Ackermann, L.
    Chem. Eur. J. (26) 16450 (2020)
    Photo-Induced Ruthenium-Catalyzed C–H Arylations at Room Temperature
    Korvorapun, K.; Struwe, J.; Kuniyil, R.; Zangarelli, A.; Casnati, A.; Waeterschoot, M.; Ackermann, L.
    Angew. Chem. Int. Ed. 59 18103-18109 (2020)
    Reactivity-Controlling Factors in Carboxylate-Assisted C–H Activation under 4d and 3d Transition Metal Catalysis
    Rogge, T.; Oliveira, J.; Kuniyil, R.; Hu, L.; Ackermann, L.
    ACS Catal. 10 10551-10558 (2020)
    Peptide Late-Stage Diversifications by Rhodium-Catalyzed Tryptophan C7 Amidation
    Wang, W.; Wu, J.; Kuniyil, R.; Lima, R. N.; Ackermann, L.
    Chem. 6 3428-3439 (2020)
    Late-Stage Peptide Diversification by Cobalt-Catalyzed C– H Activation: Sequential Multicatalysis for Stapled Peptides
    Lorion, M. M.; Kaplaneris, N.; Son, J.; Kuniyil, R.; Ackermann, L.
    Angew. Chem. Int. Ed. 58 1684-1702 (2019)
    Manganese(I)-Catalyzed C–H Activation/Diels-Alder/retro-Diels-Alder Domino Alkyne Annulation by Transformable Pyridines
    Zhu, C.; Kuniyil, R.; Ackermann, L.
    Angew. Chem. Int. Ed. 58 5338-5342 (2019)
    BODIPY-Labeled Cyclobutanes by Secondary C(sp3)─H Arylations for Live-Cell Imaging
    Virelli, M.; Wang, W.; Kuniyil, R.; Wu, J.; Zanoni, G.; Fernandez, A.; Scott, J.; Vendrel, M.; Ackermann, L.
    Chem. Eur. J. 25 12712-12718 (2019)
    Flow Rhodaelectro-Catalyzed Alkyne Annulations by Versatile C−H Activation: Mechanistic Support for Rhodium(III/IV)
    Kong, W.-J.; Finger, L. H.; Messinis, A. M.; Kuniyil, R.; Oliveira, J. C. A.; Ackermann, L.
    J. Am. Chem. Soc. 141 17198-17206 (2019)
    π-Extended Polyaromatic Hydrocarbons by Sustainable Alkyne Annulations through Double C–H/N–H Activation
    Gońka, E.; Yang, L.; Steinbock, R; Pescaioli, F.; Kuniyil, R.; Ackermann, L.
    Chem. Eur. J. 25 16246-16250 (2019)
    Domino Process toward Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative C(sp3)–C(sp3) Bond Formation
    Guo, W.; Kuniyil, R.; Gómez, J. E.; Maseras, F.; Kleij, A. W. A
    J. Am. Chem. Soc. 140 3981-3987 (2018)
    Benzoate cyclometalation enables oxidative addition of haloarenes at a Ru (II) center
    Simonetti, M.; Kuniyil, R.; Macgregor, S.; Larrosa, I
    J. Am. Chem. Soc. 140 11836-11847 (2018)
    Rutheniumcatalyzed C–H oxygenation of quinones by weak O-coordination for potent trypanocidal agents
    Dias, G. G.; Rogge, T.; Kuniyil, R.; Jacob, C.; Menna-Barreto, R. F. S.; da Silva Júnior, E. N.; Ackermann, L.
    Chem. Commun. 54 12840-12843 (2018)
    Computational study on the mechanism of the reaction of carbon dioxide with siloxy silanes
    Kuniyil, R.; Maseras, F.
    Theor. Chem. Acc. 136 1-7 (2017)
    Stereoselective and Versatile Preparation of Tri-and Tetrasubstituted Allylic Amine Scaffolds under Mild Conditions
    Guo, W.; Rodríguez, L. M.; Kuniyil, R.; Martin, E.; Adan, E. C. E.; Maseras, F.; Kleij, A. W.
    J. Am. Chem. Soc. 138 11970-11978 (2016)
    N-Heterocyclic Carbene Catalyzed Asymmetric Intermolecular Stetter Reaction: Origin of Enantioselectivity and Role of Counterions
    Kuniyil, R.; Sunoj, R. B.
    Org. Lett. 15 5040-5043 (2013)

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