From PhD and Postdoc

13. Reduction of CO2 by a Masked Two-Coordinate Cobalt(I) Complex and Characterization of a Proposed Oxodicobalt(II) Species

Lisa Roy, Malik H. Al-Afyouni, Daniel E. DeRosha, Bhaskar Mondal, Ida M. DiMucci, Kyle M. Lancaster, Jason Shearer, Eckhard Bill, William W. Brennessel, Frank Neese, Shengfa Ye* and Patrick L. Holland*. Chem. Sci. 2019, 10, 918-929. (Selected for the themed collection: Celebrating the Chemical Sciences in India - Leaders in the Field Symposium 2020) [Link]


12. Theoretical Insights into the Nature of Oxidant and Mechanism in the Regioselective Syn-dihydroxylation of an Alkene with a Rieske oxygenase inspired Iron Catalyst

Lisa Roy*, ChemCatChem 2018, 7, 3683-3688. [Link]


11. Lewis Acid Promoted Hydrogenation of CO2 and HCOO-  by Amine Boranes: Mechanistic Insight from a Computational Approach

Lisa Roy*, Boyli Ghosh and Ankan Paul*. J. Phys. Chem. A 2017, 121, 5204-5216. [Link]


10. Ligand Rearrangements at Fe/S Cofactors: Slow Isomerization of a Biomimetic [2Fe-2S] Cluster

Marie Bergner, Lisa Roy, Sebastian Dechert, Frank Neese, Shengfa Ye* and Franc Meyer*. Angew. Chem. Int. Ed. 2017, 56, 4882-4886. (Selected as HOT Paper) [Link]


8. Mechanistic Details of Ru-bispyridylborate complex catalyzed dehydrogenation of ammonia-borane: The Role of pendant Boron Ligand in catalysis

Sourav Bhunya, Lisa Roy and Ankan Paul*. ACS Catal. 2016, 6, 4068-4080. [Link]


9. High‐Valent Iron‐Oxo and‐Nitrido Complexes: Bonding and Reactivity

Bhaskar Mondal, Lisa Roy, Frank Neese and Shengfa Ye*. Isr. J. Chem. 2016, 56, 763-772. (Invited for a Special Issue: New Frontiers in Bioinorganic Chemistry) [Link]


7. A Serendipitous Rendezvous with a Four-Center Two-Electron Bonded Intermediate in the Aerial Oxidation of Hydrazine

Ambar Banerjee, Gaurab Ganguly, Lisa Roy, Shubhrodeep Pathak and Ankan Paul*. Chem. Eur. J. 2016, 22, 1216-1222. (Selected as Frontispiece) [Link]


6. Computational design of an Iridium based catalyst for releasing H2 from hydrogenated BN nanotubes

Lisa Roy* and Ankan Paul*. Chem. Commun. 2015, 51, 10532-10535. [Link]


5. A metal free strategy to release chemisorbed H2 from hydrogenated Boron Nitride nanotubes

Lisa Roy, Sourav Bhunya and Ankan Paul*. Angew. Chem. Int. Ed. 2014, 53, 12430-12435.  (Selected for Special Issue: Nanotechnology & Nanomaterials, Nanotoxicology & Nanomedicine) [Link]


4. Self-Assembly of Carboxylic Acid-Appended Naphthalene Diimide Derivatives with Tunable Luminescent Color and Electrical Conductivity

Mijanur Rahaman Molla, Dominik Gehrig, Lisa Roy, Valentin Kamm, Ankan Paul*, Frederique Laquai and Suhrit Ghosh*. Chem. Eur. J. 2014, 20, 760-771. [Link]


3. The Role of Solvent and of Species Generated in Situ on the Kinetic Acceleration of Aminoborane Oligomerization

Tanmay Malakar, Lisa Roy and Ankan Paul*. Chem. Eur. J. 2013, 19, 5812-5817. [Link]


2. Breaking the Myth of the Recalcitrant Chemisorbed Hydrogens on Boron Nitride Nanotubes: A Theoretical Perspective

Lisa Roy, Samyak Mittal and Ankan Paul*. Angew. Chem. Int. Ed. 2012, 51, 4152-4156. [Link]

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1. Changing Lanes from Concerted to Stepwise Hydrogenation: The Reduction Mechanism of Frustrated Lewis Acid–Base Pair Trapped CO2 to Methanol by Ammonia–Borane

Lisa Roy, Paul M. Zimmerman and Ankan Paul*. Chem. Eur. J. 2011, 17, 435-439. [Link]

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After Joining ICT-IOCB

32. Stabilizing Entropically Driven Self-Assembly of Self-Immolative Polyurethanes in Water: A Strategy for Tunable Encapsulation Stability and Controlled Cargo Release

Subrata Santra, Arpan Ghosh, Arun Mondal, Sk. Mursed Ali, Dishan Das, Kishor Sarkar, Lisa Roy, Mijanur Rahaman Molla*, ACS Appl. Polym. Mater. 2022 [Link]


31. Supramolecularly cross-linked nanoassemblies of self-immolative polyurethane from recycled plastic waste: high encapsulation stability and triggered release of guest molecules

Subrata Santra, Soumya Kolay, Sujauddin Sk., Debleena Ghosh, Anmol Mishra, Lisa Roy, Kishor Sarkar, Mijanur Rahaman Molla*, Polymer Chem. 2022, 13, 3294-3303 (Selected as Polymer Chemistry Recent HOT Articles) [Link]


30. Solvophobically-Driven Merocyanine Dye Assembly: Predominant Dipole-Dipole Interactions Over Hydrogen-Bonding

Aritra Rajak, Ajeet Kumar Singh, Lisa Roy*, Anindita Das*, ChemNanoMat 2022, 8, e202200082  [Link]


29. An Expeditious Route to Sterically Encumbered Nonproteinogenic α-Amino Acid Precursors Using Allylboronic Acids

Samrat Sahu, Ganesh Karan, Lisa Roy, Modhu Sudan Maji*, Chem. Sci., 2022, 13, 2355-2362 [Link]


28. The Role of Copper Salts and O2 in the Mechanism of CΞN Bond Activation for Facilitating Nitrogen Transfer Reactions

Boyli Ghosh, Ambar Banerjee, Lisa Roy, Rounak Nath, Rabindra Nath Manna, Ankan Paul*, Angew. Chem. Int. Ed., 2022, 61, e202116868 [Link]


27. Nonequilibrium Catalytic Supramolecular Assemblies of Melamine- and Imidazole-Based Dynamic Building Blocks

Syed Pavel Afrose, Chiranjit Mahato, Pooja Sharma, Lisa Roy, Dibyendu Das*, J. Am. Chem. Soc., 2022, 144, 673–678 [Link]


26. Luminescent property switching in 1D supramolecular polymerization of organic donor- π-acceptor chromophore

Sk. Mursed Ali, Subrata Santra, Arun Mondal, Soumya Koley, Lisa Roy, Mijanur Rahaman Molla*, Polym. Chem., 2022, 13, 558-568 [Link]


25. Trifluoroethanol as a Unique Additive for the Chemoselective Electrooxidation of Enamines to Access Unsymmetrically Substituted NH-Pyrroles

Mrinmay Baidya, Debabrata Maiti, Lisa Roy*, Suman De Sarkar*, Angew. Chem. Int. Ed., 2021, 61, e202111679 (Selected as HOT PAPER) [Link]


24. Unconventional Ethereal Solvents in Organic Chemistry: A Perspective on Applications of 2-Methyltetrahydrofuran, Cyclopentyl Methyl Ether, and 4-Methyltetrahydropyran

Rachel Bijoy, Pratibha Agarwala, Lisa Roy, Bhaskar N. Thorat*, Org. Process Res. Dev., 2022, 26, 480-492 [Link]


23. Stimuli-Responsive Luminescent Supramolecular Assemblies and Co-assemblies by Orthogonal Dipole-Dipole Interaction and Halogen Bonding

Akshoy Jamader, Ajeet Kumar Singh, Lisa Roy,* Anindita Das*, J. Mater. Chem. C, 2021, 9, 11893-11904. [Link]


22. The Csp-Csp Bond Cleavage and Fragments Coupling: Transition Metal-Free “Extrusion and Recombination” Approach towards Synthesis of 1,2-Diketones

Raghuram Gujjarappa, Nagaraju Vodnala, Ashish Kandpal, Lisa Roy, Sreya Gupta, Chandi Charan Malakar*, Org. Chem. Front. 2021, 8, 5389-5396. [Link]


21. Organophotoredox-catalyzed redox-neutral cascade involving N-(acyloxy)phthalimides and maleimides

Sanju Das, Sushanta Kumar Parida, Tanumoy Mandal, Sudhir Kumar Hota, Lisa Roy*, Suman De Sarkar* and Sandip Murarka*, Org. Chem. Front. 2021, 8, 2256 - 2262. [Link]

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20. Computational Investigation of the Mechanism of FLP Catalyzed H2 Activation and Lewis Base Assisted Proton Transfer

Munia Sultana, Ankan Paul and Lisa Roy*, ChemistrySelect. 2020, 5, 13397-13406. (Selected for Special Issue: Catalysis) [Link]


19. Computational Mechanistic Insights into Non-noble Metal Catalysed CO2 Conversion

Lisa Roy, Bhaskar Mondal and Shengfa Ye*, Dalton Trans. 2020, 49, 16608 – 16616. (Selected for the themed collection: 2020 Frontier and Perspective articles)[Link]


18. Alcohols as Fluoroalkyl Synthons: Ni‐catalyzed Dehydrogenative Approach to Access Polyfluoroalkyl Bis‐indoles

V. Arun, Lisa Roy*, Suman De Sarkar*, Chem. Eur. J. 2020, 26, 16649 – 16654. [Link]

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17. Theoretical investigation of an acid catalyst for viable release of H2 from BN nanotubes: A local pair natural orbital coupled cluster approach

Lisa Roy*, Int. J. Quantum Chem. 2020, 120, e26257. [Link]


16. Unravelling the possibility of hydrogen storage on naphthalene dicarboxylate-based MOF linkers: a theoretical perspective

Pratibha Agarwala, Saswat Kumar Pati and Lisa Roy*, Mol. Phys. 2020, 118, e1757169. (Invited for a Special Issue: MQM2019) [Link]


15. Structurally Tunable pH-Responsive Luminescent Assemblies from Halogen Bonded Supra-π-Amphiphiles

Akshoy Jamadar, Chandan Kumar Karan, Lisa Roy and Anindita Das*, Langmuir 2020, 36, 3089-3095. [Link]


14. Theoretical Identification of the Factors Governing the Reactivity of C‐H Bond Activation by Non‐Heme Iron(IV)‐Oxo Complexes

Lisa Roy*, ChemPlusChem 2019, 84, 893-906. (Selected for ChemPlusChem Readers' Choice) [Link] 

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              Invited Book Chapter

1. Theoretical Approach to Homogeneous Catalytic Reduction of CO2: Mechanistic Understanding to Build New Catalysts

Lisa Roy, Bhaskar Mondal, Frank Neese and Shengfa Ye. Chapter 5, Carbon Dioxide Electrochemistry: Homogeneous and Heterogeneous Catalysis, pp- 197 - 225, 2020, Royal Society of Chemistry [Link]