About Us
The Department of Chemistry, established in September, 1963, is one of the twenty three Departments/Centers of IIT Delhi. The Department offers core courses in chemistry for undergraduate B.Tech. students of Engineering in the Institute. In addition, it offers a two years M.Sc. programme and a Ph.D programme in Chemistry. Doctoral and post-doctoral research is carried out in all major areas of chemical and allied sciences. Major thrust is in the areas of analytical chemistry, biochemistry, bioinformatics, polymers, organometallics, solid state & materials chemistry, nanomaterials, organic synthesis, carbohydrate chemistry, structural biology, molecular recognition, NMR methodology, X-ray crystallography, theoretical chemistry, computer simulations and others
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Insights into the mechanism of peptide fibril growth on gold surface, Soumya Mondal and Tarak Karmakar, 2024, 107237
Diastereoselective cyclopropanation of α,β-unsaturated carbonyl compounds with vinyl sulfoxonium ylides, Shalu Deshwal, Dinesh Kumar Gopalakrishnan, Alok Purohit, Tarak Karmakar, and Janakiram Vaitla, Org. Biol. Chem. 2024
Molecular Dynamics Study on Ion-mediated Self-assembly of Monolayer-protected Nanoclusters, Vikas Tiwary, Anushna Bhattacharyya, and Tarak Karmakar, Nanoscale, 2024
Graph Neural Networks for Predicting Solubility in Diverse Solvents Using MolMerger Incorporating Solute–Solvent Interactions, Vansh Ramani and Tarak Karmakar, J. Chem. Theory. Comput, 2024,
Nanocarriers for the Delivery of Quercetin to Inhibit the UV-Induced Aggregation of γD-Crystallin, Goswami V, Tomar VR, Yashika, Deep S, Langmuir, 2024, 40, 5617-5631
"Inhibition of Fibril Formation by Polyphenols: Molecular Mechanisms, Challenges, and Prospective Solutions", Sharma S., Deep S., Chem Comm, 2024 60, 6717
Atomistic Insights on Facet-Dependent Functional Properties in CdSe Nanocrystals, Kushal Samanta, Priyanka Deswal, Dibyajyoti Ghosh, Chemistry of Materials, 2024
A-Cation-Dependent Excited State Charge Carrier Dynamics in Vacancy-Ordered Halide Perovskites: Insights from Computational and Machine Learning Models, Pabitra Kumar Nayak, Carlos Mora Perez, Dongyu Liu, Oleg V Prezhdo, Dibyajyoti Ghosh, Chem Mater, 2024
Stereoselective gem-Difunctionalization of Diazo Compounds with Vinyl Sulfoxonium Ylides and Thiols via Metalloradical Catalysis, S Bhardwaj, D K Gopalakrishnan, S Deshwal, R Sen, V Tiwari, T Karmakar, and J Vaitla, ACS Catalysis 2024
"Electrostatic-Driven Self-Assembly of Janus-like Monolayer-Protected Metal Nanoclusters" Anushna Bhattacharyya, Vikas Tiwari, and Tarak Karmakar* J. Phys. Chem. Lett. 2024, 15, 3, 687–692
Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights, Sarika Singh, Pabitra Kumar Nayak, Sergei Tretiak, and Dibyajyoti Ghosh*, J. Phys. Chem. Lett. 2023, 14, 42, 9479–9489
Nondirected, Site-Selective Arylation of Quinone Imine Ketals Derived from Arylamines: One-Pot Access to meta-Substituted Anilines, Dr. Neha Taneja, Pragya, Naveen, Dr. Dulal Musib, Dr. Chinmoy Kumar Hazra, Org. Lett. 2023, 25, 6029–6034
Myricetin: A Potent Anti-Amyloidogenic Polyphenol against Superoxide Dismutase 1 Aggregation, Shilpa Sharma, Vijay Raj Tomar, Shashank Deep, ACS Chem. Neurosci. 2023, 14, 2461–2475
Nano-Formulation of Antioxidants as Effective Inhibitors of γD-Crystallin Aggregation, A Dawn, V Goswami, S Sapra, S Deep, Langmuir 2023, 39, 1330-1344
Favoring Product Desorption by a Tailored Electronic Environment of Oxygen Vacancies in SrTiO3 via Cr Doping for Enhanced and Selective Electrocatalytic CO2 to CO Conversion, P Kalra, D Ghosh, PP Ingole, ACS Appl. Mater. Interfaces 2023, 15, 30187–30198
Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters, Vikas Tiwari and Tarak Karmakar*, J. Phys. Chem. Lett. 2023
Cu(I)/N,N-Imine Ligand Catalyzed C(sp3)–C(sp) Coupling of Alkyl Bromides with Alkynes: Scope and Mechanistic Investigation, Swati Jain, Anmol, Ruchi Sharma, Tarak Karmakar*, and M. Ramu Yadav* Organic Letters, 2023
How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights, Manav Bhati, Sergei A Ivanov, Thomas P Senftle, Sergei Tretiak, Dibyajyoti Ghosh, Nanoscale, 2023
Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study, Pabitra Kumar Nayak and Dibyajyoti Ghosh, J Mater. Chem C, 2023
Charge transport in mixed metal halide perovskite semiconductors, Satyaprasad P Senanayak, Krishanu Dey, Ravichandran Shivanna, Weiwei Li, Dibyajyoti Ghosh et al. Nature Mater. 2023
Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability, Bindusagar Das , Ritu Yadav , Ankita Sharma , Tarak Karmakar and Subrata Kundu, Chem. Commun. 2023
Practical Access to meta-Substituted Anilines by Amination of Quinone Imine Ketals Derived from Anisidines: Efficient Synthesis of Anti-Psychotic Drugs Naveen Yadav, Neha Taneja, Dulal Musib, Prof. Chinmoy Kumar Hazr, Angewandte Chemie 2023
Selective Methane Oxidation to Acetic Acid Using Molecular Oxygen over a Mono-Copper Hydroxyl Catalyst Neha Antil, Manav Chauhan, Naved Akhtar, Rahul Kalita, and Kuntal Manna, JACS 2023
Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations, Tarak Karmakar, Aaron R. Finney, Matteo Salvalaglio, A. Ozgur Yazaydin, and Claudio Perego, Acc. Chem. Res. 2023
Insights into the Interactions of Peptides with Monolayer-Protected Metal Nanoclusters, Vikas Tiwari, Sonali Garg, and Tarak Karmakar, ACS Applied Biomaterials, 2023
A Bidirectional Iterative Approach to Sequence-Defined Unsaturated Oligoesters Srashti Bhardwaj, Dinesh Kumar Gopalakrishnan, Divya Garg, Janakiram Vaitla* JACS Au., 2023
Collective Variables for Crystallization Simulations─from Early Developments to Recent Advances Neha, Vikas Tiwari, Soumya Mondal, Nisha Kumari, and Tarak Karmakar, ACS Omega, 2022
Ion-Mediated Protein Stabilization on Nanoscopic Surfaces Arti Sharma, Soumya Mondal, Tripti Ahuja, Tarak Karmakar, and Soumik Siddhanta, Langmuir, 2022
Understanding cyclic(alkyl)(amino)carbene-copper complex catalysed N–H and O–H bond addition to electron deficient olefins, Akshi Tyagi, Sunita Mondal, Jindal Anmol, Vikas Tiwari, Tarak Karmakar, Subrata Kundu, Chem. Comm. 2022
Hydrophobicity directed chiral self-assembly and aggregation induced emission: Diacetylene-cored pseudopeptide chiral dopants Govind P. Maurya, Deepak Verma, Aloka Sinha, Luc Brunsveld, V Haridas, Angewandte Chemie International Edition, 2022
Experimental and first-principles studies on superconductivity in noncentrosymmetric La3Se4, Moumita Naskar, Soumen Ash, Debendra Prasad Panda, Chandan Kumar Vishwakarma, Brajesh Kumar Mani, A. Sundaresan, and Ashok Kumar Ganguli Phys. Rev. B 105, 014513
Mono Phosphine Metal Organic Framework Supported Cobalt Catalyst for Efficient Borylation Reactions, Rajashree Newar, Wahida Begum, Naved Akhtar, Neha Antil, Manav Chauhan, Ajay Kumar, Poorvi Gupta, Jaideep Malik, Balendra, and Kuntal Manna, 2022
Heterogeneity and Nanostructure of Superconcentrated LiTFSI–EmimTFSI Hybrid Aqueous Electrolytes: Beyond the 21 m Limit of Water-in-Salt Electrolyte, Harender S. Dhattarwal and Hemant K. Kashyap, J. Phys. Chem. B 2022, 126, 28, 5291–5304
Electrochemical Activation of the C–X Bond on Demand: Access to the Atom Economic Group Transfer Reaction Triggered by Noncovalent Interaction, Partha Pratim Sen, Vishal Jyoti Roy, and Sudipta Raha Roy, J. Org. Chem. 2022
Intrinsic Lability of NiMoO4 to Excel the Oxygen Evolution Reaction, A. Rajput, M. K. Adak, B. Chakraborty, Inorg. Chem., 2022
Lewis Acid-Promoted Typical Friedel–Crafts Reactions Using DMSO as a Carbon Source, Nagaraju Vodnala, Sanjay Singh, and Chinmoy Kumar Hazra, J. Org. Chem, 2022
A Catalyst and Solvent Free Route for the Synthesis of N‐Substituted Pyrrolidones from Levulinic Acid, Pritam Dolui, Vikas Tiwari, Parul Saini, Tarak Karmakar, Koushik Makhal, Harshita Goel, Anil J Elias, Chem.Eur. J. 2022, e202200829
