Publications
Publications from IIT Jammu
34. ‡Gupta, A., ‡Ranaut, S., Kooleri, A., Jandial, T., Rani, N., Bhuvanesh, N., Mazumder, S.,* Sridharan, V.* Revealing the Role of Solvent in Anti-Oxypalladation-Triggered Regiocontrolled Domino Reactions for the Synthesis of Benzazepine- and Tetrahydroquinoline-Containing Scaffolds: A Combined Computational and Experimental Study. J. org. chem., 2024. (Accepted) (‡Joint First Author)
33. Kulesa, K. M., Padilha, D. S., Thapa, B., Mazumder, S., Losovyj, Y., Schlegel, H. B.,* Scarpellini, M.,* Verani, C. N.* A Bioinspired Cobalt-Based Catalyst Based on a Tripodal Imidazole/Pyridine Platform Capable of Water Reduction and Oxidation. J. Inorg. Biochem., 2023, 242, 112162.
32. ‡Weeraratne, A. D. K. I., ‡Rani, N., Amunugama, S., Perara, S. S., Kpogo, K. K., Mazumder, S.,* Verani, C. N.* Influence of Electronic Configurations on the Modulation of Fermi/Orbital Junction Energies for Directional Electron Transport through 3d1, 3d3, and 3d5 Metallosurfactants. J. Phys. Chem. C., 2022, 126, 21010. (‡Joint First Author)
31. Khatua, M., Goswami, B., Hans, S., Kamal, Mazumder, S.,* Samanta, S.* Hemilabile Amine-Functionalized Efficient Azo-Aromatic Cu Catalysts Inspired by Galactose Oxidase: Impact of Amine Sidearm on Catalytic Aerobic Oxidation of Alcohols. Inorg. Chem., 2022, 61, 17777.
30. Rani, N., Mazumder, S.* Why Does an Inert C4−H Bond in Indolyl Aldehyde Get Activated Unexpectedly by a Rh(III) Catalyst over a More Reactive C2−H Bond while the Opposite Is True for Acetophenone? Guidelines for Inverting Regioselectivity. Organometallics, 2022, 41, 1659.
29. Rani, N., Mazumder, S.* Enzyme-Inspired Design of CoII-Based H2 Generation Catalysts: A Toolbox
with Guiding Principles Revealed by a Systematic DFT Study. Eur. J. Inorg. Chem., 2021, 27, 2739.
28. ‡El Harakeh, N., ‡de Morais, A. C. P., ‡Rani, N., Gomez, J. A. G., Cousino, A., Lanznaster, M.,* Mazumder, S.*, Verani, C. N.* Reactivity and Mechanisms of Photoactivated Heterometallic [RuIINiII] and [RuIINiIIRuII] Catalysts for Dihydrogen Generation from Water. Angew. Chem. Int. Ed., 2021, 133, 5787. (This article also appears in: Hot Topic: Photocatalysis) (‡Joint First Author)
27. Wachter, N. M.,* Rani, N., Zolfaghari, A., Tarbox, H., Mazumder, S.* DFT Investigations of the Unusual Reactivity of 2-Pyridinecarboxaldehyde in Base-Catalyzed Aldol Reactions with Acetophenone. J. Phys. Org. Chem., 2020, 33, 1-14. (DOI: 10.1002/poc.4048)
26. Basu, D., Mazumder, S., Kpogo, K. K., Verani, C. N.* Influence of Nitro Substituents on the Redox, Electronic, and Proton Reduction Catalytic Behavior of Phenolate-Based [N2O3]-Type Cobalt (III) Complexes. Dalton Trans., 2019, 48, 14669.
25. Kankanamalage, P. H. A., Ekanayake, D. M., Singh, N., de Morais, A. C. P., Mazumder, S.,* Verani, C. N.,*, Mukherjee, A.,* Lanznaster, M.* Effect of Ligand Substituents on Nickel and Copper [N4] Complexes: Electronic and Redox Behavior, and Reactivity towards Protons. New J. Chem., 2019, 43, 12795.
Publications before IIT Jammu
24. Ekanayake, D. M., Kulesa, K. M., Singh, J., Kpogo, K .K., Mazumder, S.,* Schlegel, H. B., Verani, C. N.* A Pentadentate Nitrogen-Rich Copper Electrocatalyst for Water Reduction with pH-Dependent Molecular Mechanisms. Dalton Trans., 2017, 46, 16812.
23. Baydoun, H., Mazumder, S., Schlegel, H. B.,* Verani, C. N.* Deactivation of a Cobalt Catalyst for Water Reduction via Valence Tautomerism. Chem. Eur. J., 2017, 23, 9266.
22. ‡Kpogo, K. K., ‡Mazumder, S., Wang, D., Schlegel, H. B., Fiedler, A. T.,* Verani, C. N.* Bimetallic Cooperativity in Proton Reduction with an Amido-bridged Cobalt Catalyst. Chem. Eur. J., 2017, 23, 9272. (‡Joint First Author)
21. D’Amelia, R. P.,* Johnson, B., Mazumder, S. Application of Differential Scanning Calorimetry in an Organic Chemistry Laboratory Course: Development of a Binary Phase Diagram of Cis/Trans-1,2-Dibenzoylethylene. World Journal of Chemical Education, 2017, 5, 46.
20. Kankanamalage, P. H. A., Mazumder, S., Tiwari, V., Kpogo, K. K., Schlegel, H. B., Verani, C. N.*
Efficient Electro/Photocatalytic Water Reduction Using a [NiII(N2Py3)]2+ Complex. Chem. Commun., 2016, 52, 13357.
19. Tsai, C. N., Mazumder, S., Zhang, X. Z., Schlegel, H. B.,* Chen, Y. J.,* Endicott, J. F.* Are Very Small Emission Quantum Yields Characteristic of Pure Metal-to-Ligand Charge-Transfer Excited States of Ruthenium(II)-(Acceptor Ligand) Chromophores? Inorg. Chem., 2016, 55, 7341.
18. Arora, K., White, J. K., Sharma, R., Mazumder, S., Martin, P. D., Schlegel, H. B., Turro, C.,* Kodanko, J. J.* Effects of Methyl Substitution in Ruthenium Tris(2-pyridylmethyl)amine Photocaging Groups for Nitriles. Inorg. Chem., 2016, 55, 6968.
17. ‡Wickramasinghe, L. D., ‡Mazumder, S., Kpogo, K. K., Staples, R. J., Schlegel, H. B.,* Verani, C. N.* Electronic Modulation of the SOMO-HOMO Energy Gap in Iron(III) Complexes towards Unimolecular Current Rectification. Chem. Eur. J., 2016, 22, 10786. (‡Joint First Author)
16. ‡Basu, D., ‡Mazumder, S., Niklas, J., Baydoun, H., Wanniarachchi, D., Shi, X., Staples, R. J., Poluektov, O., Schlegel, H. B.,* Verani, C. N.* Evaluation of the Coordination Preferences and Catalytic Pathways of Heteroaxial Cobalt Oximes towards Hydrogen Generation. Chem. Sci., 2016, 7, 3264. (‡Joint First Author)
15. Crandell, D. W., Mazumder, S., Evans, P. A.,* Baik, M–.H.* The Origin of the Ligand-Controlled Regioselectivity in Rh-Catalyzed [(2+2)+2] Carbocyclizations: Steric vs. Stereoelectronic Effects. Chem. Sci., 2015, 6, 6896.
14. Tsai, C. N., Mazumder, S., Zhang, X. Z., Schlegel, H. B.,* Chen, Y. J.,* Endicott, J. F.* Metal-to-Ligand Charge-Transfer Emissions of Ruthenium(II) Pentaammine Complexes with Monodentate Aromatic Acceptor Ligands and Distortion Patterns of their Lowest Energy Triplet Excited States. Inorg. Chem., 2015, 54, 8495.
13. Yi-Jung, T., Mazumder, S., Endicott, J. F., Turro, C., Kodanko, J., Schlegel, H. B.* Selective Photodissociation of Acetonitrile Ligands in Ruthenium Polypyridyl Complexes Studied by Density Functional Theory. Inorg. Chem., 2015, 54, 8003.
12. Basu D., Mazumder, S., Shi, X., Staples, R. J., Schlegel, H. B.,* Verani, C. N.* Distinct Proton and Water Reduction Behavior with a Cobalt(III) Electrocatalyst Based on Pentadentate Oximes. Angew. Chem. Int. Ed., 2015, 54, 7139.
11. Thomas, R. A., Tsai, C. N., Mazumder, S., Lu, I. C., Lord, R. L., Schlegel, H. B.,* Chen, Y. J.,* Endicott, J. F.* Energy Dependence of the Ruthenium(II)-Bipyridine Metal-to-Ligand-Charge-Transfer Excited State Radiative Lifetimes: Effects of ππ*(bipyridine) Mixing. J. Phys. Chem. B., 2015, 119, 7393.
10. Basu D., Mazumder, S., Shi, X., Baydoun, H., Niklas, J., Poluektov, O., Schlegel, H. B.,* Verani, C. N.* Ligand Transformations and Efficient Proton/Water Reduction with Cobalt Catalysts Based on Pentadentate Pyridine-Rich Environments. Angew. Chem. Int. Ed., 2015, 54, 2105.
9. ‡Wickramasinghe, L. D., ‡Mazumder, S., ‡Gonawala, S., Perera, M. M., Baydoun, H., Thapa, B., Li, L., Xie, L., Mao, G., Zhou, Z., Schlegel, H. B., Verani, C. N.* The Mechanisms of Rectification in Au|molecule|Au Devices Based on Langmuir-Blodgett Monolayers of Iron(III) and Copper(II) Surfactants. Angew. Chem. Int. Ed., 2014, 53, 14462. (‡Joint First Author)
8. Mazumder, S., Thomas, R. A., Lord, R. L., Schlegel, H. B.,* Endicott, J. F.* A Density Functional Theory and Spectroscopic Study of Intramolecular Quenching of Metal-to-Ligand Charge-Transfer Excited States in Some Mono-Bipyridine Ruthenium(II) Complexes. Can. J. Chem., 2014, 92, 996. (Invited article to a special issue dedicated to Professor Barry Lever)
7. Mazumder, S., Crandell, D. W., Lord, R. L., Baik, M–.H.* Switching the Enantioselectivity in Catalytic [4+1] Cycloadditions by Changing the Metal Center: Principles of Inverting the Stereochemical Preference of an Asymmetric Catalysis Revealed by DFT Calculations. J. Am. Chem. Soc., 2014, 136, 9414.
6. Williams, D. R.,* Shah, A. A., Mazumder, S., Baik, M–.H.* Studies of Iron-Mediated Pauson–Khand Reactions of 1,1-Disubstituted-Allenylsilanes: Mechanistic Implications for a Reactive Three-Membered Iron Metallacycle. Chem. Sci., 2013, 4, 238.
5. Andino, J. G., Mazumder, S., Pal, K., Caulton, K. G.* New Approaches to Functionalizing Metal-Coordinated N2. Angew. Chem. Int. Ed., 2013, 52, 4726.
4. Mazumder, S., Shang, D., Negru, D. E., Evans, P. A.,* Baik, M–.H.* Stereoselective Rhodium-Catalyzed [3+2+1] Carbocyclization of Alkenylidenecyclopropanes with Carbon Monoxide: Theoretical Evidence for a Trimethylenemethane Metallacycle Intermediate. J. Am. Chem. Soc., 2012, 134, 20569 (Highlighted in Angew. Chem. Int. Ed., 2013, 52, 5916).
3. Boerner, L. J. K., Mazumder, S., Pink, M., Baik, M–.H.,* Zaleski, J. M.* Conformational and Electronic Consequences in Crafting Extended π-Conjugated Light-Harvesting Macrocycles. Chem. Eur. J., 2011, 17, 14539.
2. Baik, M–.H.,* Mazumder, S., Ricci, P., Sawyer, J. R., Song, Y–.G., Wang, H., Evans, P. A.* Computationally Designed and Experimentally Confirmed Diastereoselective Rhodium-Catalyzed Pauson−Khand Reaction at Room Temperature. J. Am. Chem. Soc., 2011, 133, 7621 (Highlighted in Nature Chemistry, 2011, 7, 498).
1. Hill, J. G., Mazumder, S., Peterson, K. A.* Correlation Consistent Basis Sets for Molecular Core-Valence Effects with Explicitly Correlated Wave Functions: The Atoms B–Ne and Al–Ar. J. Chem. Phys., 2010, 132, 054108.