Publications (SCI) with peer-review process
A. The following mentioned publications have evolved from my postdoctoral work
29. Banerjee, T.; Thawrani, K.; Pal, A. K.; Datta, A.;* Dasgupta, J.;* Ghosh, S.* (2026) Supramolecular Assembly of a Heavy-Atom-Free Highly Efficient Self-Deliverable Photosensitizer for Activable Photodynamic Therapy. Angew. Chem. Int. Ed., e25481. DOI: doi.org/10.1002/anie.202525481. (Link)
28. Chandrashekar, P.; Varghese, D. A.; Thomas, T.; Pal, A. K.; Muraleedharan, A.; Salam, A.; Ghosh, M.; Mondal, P. K.; Suresh, S. V.; Nandi, C. K.; * Datta, A.;* Mandal, S.* (2025) J. Phys. Chem. Lett. 16, 4107-4113 pp. (Link)
27. Das, L.; Das, P.; Ahameda, M.; Datta, A.; Pal, A. K.; Datta, A.; Malik, S.* (2025) Bay-substituted perylene diimide-based donor–acceptor type copolymers: design, synthesis, optical and energy storage behaviors. J. Mater. Chem. A, 13, 1842-1852 pp. (Link)
26. Alam, N.; Rahaman, T.; Das, A. K.; Pal, A. K.; Datta, A.; Ray, S. J.; Mondal, P. K.; Polentarutti, M.; Mandal, S.* (2024) Inflection of Resistive Switching Behavior in Atomically Precise Silver Cluster‐Assembled Materials. Small, 2409118 pp. (Link)
25. Datta, A.; Mukherjee, S; Pal, P.; Pal, A. K.; Perumal, A.;* Datta, A.;* Malik, S.* (2024) Efficient Triplet Harvesting via Hot Exciton Utilization in Solution-Processed OLEDs Employing Tetraphenyl Buta-1,3-Diene Based AIE Emitters. Adv. Opt. Mater. 2401977-2401986 pp. (Link)
24. Sarkar, A.; Pal, A. K.; Kumar, A.; Dasgupta, S.; Kandoth, N.;* Datta, A.;* Datta, A.;* Sen Gupta, S. * (2024) Ancillary Ligand Promoted Charge Transfer in Bis-indole Pyridine Ligand-Based Nickel Complexes. Inorg. Chem. 63, Inorg. Chem. 2024, 63, 43, 20737–20748 pp. (Link)
23. Mondal, P., Mandal, N., Pal, A. K., Datta, A.* (2024): Computational Insights into Palladium-Catalyzed Site-Selective Anilide and Benzamide-Type [3+2] Annulation via Double C–H Bond Activation. J. Org. Chem. (ACS Publishing), 89, 11371–11379 pp. (Link)
22. Pal, A.K., Datta, A.* (2024): First-principles design of heavy-atom-free singlet oxygen photosensitizers for photodynamic therapy. J. Chem. Phys. (AIP Publishing), 160, 164720 pp. (Link)
21. Roy, R., Chawla, S., Sharma, V., Pal, A. K., Silori, Y., Datta, A.,* De, A. K.,* Koner, A. L.* (2024): Ultrafast Symmetry-Breaking Charge Separation in PMI-embedded Multichromophores: Impact of Regioisomerism. Chem. Sci. (RSC Publishing), 15, 6363-6377 pp. (Link)
20. Das, S., Pal, A. K., Datta, A.* (2024): Pressure Induced Alteration and Stabilization of Intermolecular Stacking in Square-planar Osmium Tetracarbonyl. ChemPhysChem (Wiley Online Library), 25, e202300720 pp. (Link)
19. Sarkar, P., Sarkar, S., Nayek, A., Adarsh, N. N., Pal, A. K., Datta, A., Dey, A., Ghosh, P.* (2024): Low Potential CO2 Reduction by Inert Fe(II)‐Macrobicyclic Complex: A New Concept of Cavity Assisted CO2 Activation. Small (Wiley Online Library), 20, 2304794 pp. (Link)
18. Datta, S. N.,* Pal, A. K., Panda, A. (2023): Design of Magnetic Organic Molecules and Organic Magnets: Experiment, Theory and Computation with Application and Recent Advances. Chem. Phys. Impact (Elsevier Publishing) 7, 100379 pp. (Link)
17. Dey, S., Pal, A. K., Upadhaya, M., Datta, A.,* Ray, D.* (2023): Modulation of Delayed Fluorescence Guided by Conformational Effect-Mediated Thermally Enhanced Phosphorescence in Phenothiazines–Quinoline–Cl Conjugates. J. Phys. Chem. B (ACS Publishing) 127, 9833-9840 pp. (Link)
16. Mondal, S., Tanari, P., Roy, S., Bhunia, S., Chowdhury, R., Pal, A. K., Datta, A., Pal, B., Reddy, C. M.* (2023): Autonomous Self-healing Organic Crystals for Nonlinear Optics. Nat. Commun. (Nature Publishing), 14, 6589 pp. (Link)
15. Banerjee, T., Dan, K., Pal, A. K., Bej, R., Datta, A., Ghosh, S.* (2023): Redox-Triggered Activation of Heavy-Atom-Free Photosensitizer and Implications in Targeted Photodynamic Therapy. ACS Macro Lett. (ACS Publishing), 12, 928-934 pp. (Link)
14. Maman, M. P., Gurusamy, T., Pal, A. K., Jana, R., Kothandaraman Ramanujam, K., Datta, A., Mandal, S.* (2023): Electrocatalytic Reduction of Nitrogen to Ammonia Using Tiara‐like Phenylethanethiolated Nickel Cluster. Angew. Chem. Int. Ed. (Wiley Online Library), 62, e202305462 pp. (Link)
13. Bansal, D., Kundu, A., Singh, V. P., Pal, A. K., Datta, A.,* Dasgupta, J.,* Mukhopadhyay, P.* (2022): A Highly Contorted Push-Pull Naphthalenediimide Dimer and Evidence of Intramolecular Singlet Exciton Fission. Chem. Sci. (RSC Publishing), 13, 11506-11512 pp. (Link)
12. Mondal, P., Pal, R., Pal, A. K., Das, S., Mishra, A., Datta, A.* (2022): Understanding the Regioselectivity of Ion-Pair-Assisted meta-Selective C(sp2) – H Activation in Conformationally Flexible Arylammonium Salts. J. Org. Chem. (ACS Publishing) 87, 9222-9231 pp. (Link)
11. Datta, S. N.,* Pal, A. K. (2022): Spin Alternation Rule in USCF for Through-Bond Magnetic Coupling—A New Look: Why and When Does It Arise and How To See It. J. Phys. Chem. A (ACS Publishing), 126, 2309-2318 pp. (Link)
10. Mandal, S., Pal, A. K., Mandal, N., Mukhopadhyay, T. K., Datta, A.* (2021): Harnessing Noncovalent Interactions for a Directed Evolution of a Six-Component Molecular Crystal. J. Phys. Chem. B (ACS Publishing) 125, 12584-12591 pp. (Link)
9. Biswas, S., Manna, G., Das, B., Bhattacharya, A., Pal, A. K., Datta, A., Alam, P., Laskar, I. R., Mondal, P., Mukhopadhyay, M. K., Sanyal, M. K., Acharya, S.* (2021): Origin of Intense Luminescence from Supramolecular 2D Molecular Crystals. Small (Wiley Online Library), 2103212 pp. (Link)
8. Gayen, K., Hazra, S., Pal, A. K., Paul, S., Datta, A.,* Banerjee, A.* (2021): Tuning of optoelectronic properties of peptide appended core substituted naphthalenediimides: The role of self-assembly of two positional isomers. Soft Matter (RSC Publishing), 17, 7168-7176 pp. (Link)
7. Pal, A. K., Bhattacharyya, K., Datta, A.* (2020): Polymorphism Dependent 9-phosphoanthracene Derivative Exhibiting Thermally Activated Delayed Fluorescence: A Computational Investigation. J. Phys. Chem. A (ACS Publishing), 124, 11025-11037 pp. (Link)
6. Roy, M., Pal, A. K., Adhikari, A., Datta, A.,* Mondal, R.* (2020): Paradoxical Design of A Serendipitous Pyrazolate Bridging Mode: A Pragmatic Strategy for Inducing Ineluctable Ferromagnetic Coupling. Dalton Trans. (RSC Publishing), 49, 13704-13716 pp. (Link)
5. Mandal, N., Pal, A. K., Gain, P., Zohaib, A., Datta, A.* (2020): Transition-State-like Planar Structures for Amine Inversion with Ultralong C─C Bonds in Diamino-o-carborane and Diamino-o-dodecahedron. J. Am. Chem. Soc. (ACS Publishing), 142, 5331-5337 pp. (Link)
4. Pal, A. K., Bhattacharyya, K., Datta, A.* (2019): Remote Functionalization through Symmetric or Asymmetric Substitutions Control the Pathway of Intermolecular Singlet Fission. J. Chem. Theo. Comput. (ACS Publishing), 15, 5014-5023 pp. (Link)
3. Pal, A. K., Duignan, T. J., Autschbach, J.* (2018): Calculation of Linear and Nonlinear Optical Properties of Azobenzene Derivatives with Kohn-Sham and Coupled-Cluster Methods. Phys. Chem. Chem. Phys. (RSC Publishing), 20, 7303-7316 pp. (Link)
2. Bishnoi, S., Milton, M. D., Paul, T. K., Pal, A. K., Taraphder, S.* (2017): Small Nonplanar Phenothiazine‐5‐oxide‐Based Molecules: Structural Characterization, Photophysical, Thermal, and Computational Studies. ChemistrySelect (Wiley Online Library), 2, 3084-3092 pp. (Link)
1. Pal, A. K., Datta, S. N.* (2017): Ferrocene-Based Diradicals of Iminonitroxide, Nitronylnitroxide, and Verdazyl, and Their Cations are Possible SMM: A Quantum Chemical Study. Chem. Phys. Lett. (Elsevier Publishing), 676, 70-76 pp. (Link)
B. The following mentioned publications have evolved from my doctoral dissertation
9. Pal, A. K., Kumar, A., Datta, S. N.* (2016): Geometrical Structure of meta-Xylylene Based Symmetric Polyradicals and their Magnetic Nature: A Density Functional Study. Chem. Phys. Lett. (Elsevier Publishing), 648, 189-194 pp. (Link)
8. Pal, A. K., Hansda, S., Datta, S. N.* (2015): Quantum Chemical Investigation of meta-Phenylene Based One-dimensional Polymer Chain. J. Phys. Chem. A (ACS Publishing), 119, 2176-2185 pp. (Link)
7. Hansda, S., Pal, A. K., Datta, S. N.* (2015): Ferromagnetic Nature of Silicon Substituted meta-Xylylene Polyradicals. J. Phys. Chem. C (ACS Publishing), 119, 3754-3761 pp. (Link)
6. Pal, A. K., Datta, S. N.* (2014): Quantum Chemical Investigation of Calix[4]arene-Based Radicals with Bis(biphenylene)methyl Linkers as Precursors of Spinglass and Superparamagnets. J. Phys. Chem. C (ACS Publishing), 118, 27599-27610 pp. (Link)
5. Pal, A. K., Reta Mañeru, D., Latif, I. A., Moreira, I de P. R., Illas, F.; Datta, S. N.* (2014): Theoretical and Computational Investigation of meta-Phenylene as Ferromagnetic Coupler in Nitronyl Nitroxide Diradicals. Theo. Chem. Acc. (Springer), 133, 1472-1484 pp. (Link)
4. Reta Mañeru, D., Pal, A. K., Moreira, I. de P.R., Datta, S. N., Illas, F.* (2014): The Triplet-Singlet Gap in the meta-Xylylene Radical: A Not-So-Simple One. J. Chem. Theo. Comput. (ACS Publishing), 10, 335-345 pp. (Link)
3. Pal, A. K., Hansda, S., Datta, S. N.,* Illas, F. (2013): Theoretical Investigation of Stilbene as Photochromic Spin Coupler. J. Phys. Chem. A (ACS Publishing), 117, 1773–1783 pp. (Link)
2. Sadhukhan, T., Hansda, S., Pal, A. K., Venkatakrishna, G. V., Latif, I. A., Datta, S. N.* (2013): Theoretical Investigation of Photomagnetic Properties of Oxoverdazyl-Substituted Pyrenes. J. Phys. Chem. A (ACS Publishing), 117, 8609-8622 pp. (Link)
1. Datta, S. N. ,* Pal, A. K., Hansda, S., Latif, I. A. (2012): On the Photomagnetism of Nitronyl Nitroxide, Imino Nitroxide, and Verdazyl-Substituted Azobenzene. J. Phys. Chem. A (ACS Publishing), 116, 3304-3311 pp. (Link)