Dr. Snehasis Banerjee

Previous Affiliations:

Joint DPI, OSD (University Branch), Bikash Bhavan, Salt Lake, Kolkata
Assistant Professor, Government College of Engineering and Leather Technology
Assistant Professor, Darjeeling Government College

Research Interests

Density Functional Theory
Computational Chemistry
TDDFT & Spectroscopy
Reaction Mechanisms

Selected Publications

Synthesis and structural characterization of [CoIIGdIII(L)(H2O)2(L´)2]ClO4 [LH2 = a Schiff base, L'H = o-vanillin], and magnetostructural correlations of [ZnII2GdIII(L)2(H2O)Cl2]0.5ZnCl4.2H2O and [CoIIGdIII(L)(H2O)2(L´)2]ClO4 Inorganica Chimica Acta, 2026, 595, 123116.
doi.org/10.1016/j.ica.2026.123116
Understanding the Formation Mechanism and Structural Aspects of Anti-cancer Drug Platinum Uracil Blues by Quantum Chemical Studies, RSC Advances, 2025, 15, 46914–46924.
doi.org/10.1039/D5RA08093B
Synthesis, structural characterization and DFT study of a cobalt(III)/cobalt(II) complex derived from N,O donor reduced Schiff base ligand, Inorganica Chimica Acta, 2025, 581, 122618.
doi.org/10.1016/j.ica.2025.122618
Distinguishing between Coordination and Spodium Bonds in the Dinuclear Cadmium(II) Complex of Lawesson’s-Derived Phosphonodithioates, Crystal Growth & Design, 2025, 25, 4, 912–923.
doi.org/10.1021/acs.cgd.4c01027
Derivative of clove oil used as a chemosensor for the colorimetric and fluorometric detection of Al3+: crystal structure description and live cell imaging, New Journal of Chemistry, 2025.
doi.org/10.1039/D4NJ04724A
Application of a distinctly bent, trinuclear, end-to-end azide bridged, mixed valence cobalt(iii/ii/iii) complex in the fabrication of photosensitive Schottky barrier diodes, RSC Advances, 2024.
doi.org/10.1039/D4RA01406E
Importance of π-π interactions in the solid state structures of two cobalt complexes derived from N,O donor reduced Schiff base ligands, Polyhedron, 2024, 254, 116916.
doi.org/10.1016/j.poly.2024.116916
Fabrication of Schottky barrier diodes utilizing carboxylate bridged trinuclear mixed valence cobalt(III/II/III) complexes of tetradentate N2O2 donor reduced Schiff base ligands, New Journal of Chemistry, 2023, 47, 14202–14216.
doi.org/10.1039/D3NJ01829F
An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(II) complexes with N,O-donor ligands: Application of the complexes in the fabrication of Schottky devices, CrystEngComm, 2023.
doi.org/10.1039/D2CE01282K
Combined Experimental and Theoretical Studies on the Rubbing-Induced Fluorescence Behavior of a Luminophore in the Solid State, ACS Omega, 2023, 8, 1, 373–379.
doi.org/10.1021/acsomega.2c04803
Rhodamine-azo based two fluorescent probes for recognition of trivalent metal ions: crystal structures elucidation and biological application, Dalton Transactions, 2022.
doi.org/10.1039/D2DT00399F
Synthesis and characterization of two polynuclear zinc(II) complexes and their applications in nitroaromatics sensing: An experimental and theoretical study, Inorganica Chimica Acta, 2022, 543, 121186.
doi.org/10.1016/j.ica.2022.121186
Synthesis, characterization and self assembly of dinuclear zinc Schiff base complexes: A combined experimental and theoretical study, Polyhedron, 2022, 225, 116044.
doi.org/10.1016/j.poly.2022.116044
A mononuclear zinc complex with a diamine: Synthesis, characterization, self assembly, luminescence property and DFT calculations, Journal of Molecular Structure, 2022, 131598.
doi.org/10.1016/j.molstruc.2021.131598
Role of non-covalent interactions in the supramolecular architectures of mercury(II) diphenyldithiophosphates: An experimental and theoretical investigation, New Journal of Chemistry, 2021, 45, 2249-2263.
doi.org/10.1039/D0NJ05709F
Phenoxo-bridged dinuclear mixed valence cobalt(III/II) complexes with reduced Schiff base ligands: Synthesis, characterization, band gap measurement and fabrication of Schottky barrier diodes, Dalton Transactions, 2021.
doi.org/10.1039/D0DT03707A
An insight into the interaction between α-ketoamide- based inhibitor and CORONAVIRUS MAIN PROTEASE: A detailed in silico study, Biophysical Chemistry, 2021, 269, 106510.
doi.org/10.1016/j.bpc.2020.106510
Field-Induced Single Molecule Magnet Behavior in a Dinuclear Cobalt(II) Complex: A Combined Experimental and Theoretical Study, Dalton Transactions, 2020, 49, 16778-16790.
doi.org/10.1039/D0DT02158J
Understanding a Thermoemissive ESIPT-Based SolidState Off–On Switch as a Dual-Channel Chemosensor in Solid and Solution Phases: Detailed Experimental and Theoretical Study, Journal of Physical Chemistry C, 2020, 124, 33, 18181–18193.
doi.org/10.1021/acs.jpcc.0c04603
Synthesis, characterization, self-assembly and non-ohmic Schottky barrier diode behaviors of two iron(iii) based semiconductors with theoretical insight, CrystEngComm, 2020, 22, 5170-5181.
doi.org/10.1039/D0CE00223B
Effect of Main Versus Ancillary Ligand Substitution on the Photophysical Properties of a Series of Ir(III) Complexes: A Detailed Theoretical Investigation, Journal of Physical Chemistry A, 2020, 124, 23, 4654–4665.
doi.org/10.1021/acs.jpca.0c03102
Biocompatible Aliphatic Terpolymers via In Situ Fluorescent Monomers for Three-in-One Applications: Polymerization of Hydrophobic Monomers in Water, Langmuir, 2020, 36, 22, 6178–6187.
doi.org/10.1021/acs.langmuir.0c00636
A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(II) complexes and their strong fluorescence behaviors, CrystEngComm, 2020, 22, 3005-3019.
doi.org/10.1039/D0CE00125B
Light-Emitting Multifunctional Maleic Acid-co-2-(N(hydroxymethyl)acrylamido)succinic Acid-co-N-(hydroxymethyl)acrylamide for Fe(III) Sensing, Removal, and Cell Imaging, ACS Omega, 2020, 5, 7, 3333–3345.
doi.org/10.1021/acsomega.9b03536
Fluorescent Guar Gum-g-Terpolymer via In Situ Acrylamido-Acid Fluorophore-Monomer in Cell Imaging, Pb(II) Sensor, and Security Ink, ACS Applied Bio Materials, 2020, 3, 4, 1995–2006.
doi.org/10.1021/acsabm.9b01146
Fluorescent Terpolymers Using Two Non-Emissive Monomers for Cr(III) Sensors, Removal, and Bio-Imaging, ACS Biomaterials Science & Engineering, 2020, 6, 3, 1397–1407.
doi.org/10.1021/acsbiomaterials.9b01849
Magnetic Properties of End-to-End Azide-Bridged Tetranuclear Mixed-Valence Cobalt(III)/Cobalt(II) Complexes with Reduced Schiff Base Blocking Ligands and DFT Study, ACS Omega, 2019, 4, 24, 20634–20643.
doi.org/10.1021/acsomega.9b02764
An insight into the non-covalent Pb-S and S-S interactions in the solid-state structure of a hemidirected lead(II) complex, CrystEngComm, 2020, 22, 237-247.
doi.org/10.1039/C9CE01548E
DFT study on the redox behavior of two dioxovanadium(v) complexes with N2O donor Schiff base ligands and their use in catalytic oxidation of ortho-aminophenol, New Journal of Chemistry, 2019, 43, 18747-18759.
doi.org/10.1039/C9NJ04672K
Multi‐C−C/C−N‐Coupled Light‐Emitting Aliphatic Terpolymers: N−H‐Functionalized Fluorophore Monomers and HighPerformance Applications, Chemistry—A European Journal, 2020, 26, 502.
doi.org/10.1002/chem.201903935
Relative stability of cis and trans isomers of octahedral cobalt(III) complexes of the type [Co(N2O2)X2] with tetradentate salen type Schiff bases: A combined theoretical and experimental study, CrystEngComm, 2019, 21, 6026-6037.
doi.org/10.1039/C9CE00922A
Synthesis, structure, DFT study and catechol oxidase activity of Cu(II) complex with sterically constrained phenol based ligand, Journal of Molecular Structure, 2019, 1193, 265-273.
doi.org/10.1016/j.molstruc.2019.05.021
Fluorescent Terpolymers via In Situ Allocation of Aliphatic Fluorophore Monomers: Fe(III) Sensor, High‐Performance Removals, and Bioimaging, Advanced Healthcare Materials, 2019, 8, 1900980.
doi.org/10.1002/adhm.201900980
Quantum chemical predictions of aqueous pKa values for OH groups of some α–hydroxycarboxylic acids based on ab-initio and DFT calculations, Computational and Theoretical Chemistry, 2017, 1125, 29-38.
doi.org/10.1016/j.comptc.2017.12.011
A mixed phenoxo and end-on azide bridged dinuclear copper (II) Schiff base complex: synthesis, structure, magnetic characterization and DFT study, New Journal of Chemistry, 2018, 42, 13512-13519.
doi.org/10.1039/C8NJ02612B
Understanding the difference in photophysical properties of cyclometalated iridium (iii) and rhodium (iii) complexes by detailed time-dependent density functional theory and frontier molecular orbital supports, Journal of Physical Chemistry C, 2017, 121, 21, 11632–11642.
doi.org/10.1021/acs.jpcc.7b01573
Understanding the ring-opening, chelation and non-chelation reactions between nedaplatin and thiosulfate: a DFT study based on NBO, ETS-NOCV and QTAIM, Theoretical Chemistry Accounts, 2016, 135, 30.
doi.org/10.1007/s00214-015-1772-x
Synthesis, characterization, interactions with DNA and bovine serum albumin (BSA), and antibacterial activity of cyclometalated iridium(III) complexes containing dithiocarbamate derivatives, Journal of Coordination Chemistry, 2014, 67, 2643-2660.
doi.org/10.1080/00958972.2014.945924
Efficient and Convenient Methods for Synthesis of Some Phthalazine Derivatives and Their Evaluation of Cytotoxicity, Synthetic Communications, 2014, 44, 847-857.
doi.org/10.1080/00397911.2013.837486
Cyclometalated rhodium(III) complexes bearing dithiocarbamate derivative: Synthesis, characterization, interaction with DNA and biological study, Polyhedron, 2014, 69, 127-134.
doi.org/10.1016/j.poly.2013.11.028
A napthelene–pyrazol conjugate: Al(iii) ion-selective blue shifting chemosensor applicable as biomarker in aqueous solution, Analyst, 2014, 139, 4828-4835.
doi.org/10.1039/C4AN01039F
Substituent effect on fluorescence signaling of the cell permeable HSO4− receptors through single point to ratiometric response in green solvent, RSC Advances, 2014, 4, 27665-27673.
doi.org/10.1039/C4RA03551H
Interactions of the aquated forms of the anticancer drug AMD443 with DNA purine bases: A detailed computational approach, Inorganica Chimica Acta, 2013, 400, 156-164.
doi.org/10.1016/j.ica.2013.01.033
An oxorhenium(V) Schiff-base complex: synthesis, structure, spectroscopic characterization, electrochemistry, and DFT calculations, Journal of Coordination Chemistry, 2013, 66, 7, 1143-1154.
doi.org/10.1080/00958972.2013.777955

Some Old Publications

A detailed quantum chemical study of the interactions of [Pt (dien) Cl]+ with a series of S-donor ligands: A computational approach, Computational and Theoretical Chemistry, 2012, 991, 116-123.
doi.org/10.1016/j.comptc.2012.04.004
trans-Platinum anticancer drug AMD443: A detailed theoretical study by DFT–TST method on the hydrolysis mechanism, Chemical Physics Letters, 2010, 497, 142-148.
doi.org/10.1016/j.cplett.2010.07.100
A detailed theoretical DFT study of the hydrolysis mechanism of orally active anticancer drug ZD0473, Chemical Physics Letters, 2010, 487, 108-115.
doi.org/10.1016/j.cplett.2010.01.031
A detailed theoretical study of the interaction of thiourea with cis-diaqua (ethylenediamine) platinum (II), Journal of Molecular Structure: THEOCHEM, 2009, 913, 97-106.
doi.org/10.1016/j.theochem.2009.07.027
Chloride anation reaction of aqua (diethylenetriamine) platinum (II): Density functional studies “Dedicated to Prof. HB Gray”, Journal of Computational Biology and Bioinformatics Research, 2009, 5C5BCDD8468, 11, 1-10.
doi.org/10.5897/JCBBR.9000006
An Insight into the Interaction Between α-Ketoamide-Based Inhibitor and Coronavirus Main Protease: A Detailed in Silico Study”, ChemRxiv, 2020, preprint.
doi.org/10.26434/chemrxiv.12787463.v1

Full publication list available on Google Scholar.

Dr. Snehasis Banerjee

Research Interests

Selected Publications

Some Old Publications

Profiles