Dr. Anjan Chattopadhyay

Professor, Department of Chemistry

Computational Photochemistry
BITS-Pilani, K.K. Birla Goa Campus


"A computational investigation on the photochemistry of the popular spin-trap agent N-tert-butyl-α-phenylnitrone (PBN) and thermal isomerization pathways of its photoproduct oxaziridine
Rajeshwari Nikam, Anjan Chattopadhyay    Int. J. Quantum Chem. 2024;124:e27369.   (DOI: 10.1002/qua.27369)


Unexplored Isomerization Pathways of Azobis(benzo-15-crown-5): Computational Studies on a Butterfly Crown Ether” 
Dilawar Singh SisodiyaSk. Musharaf AliAnjan Chattopadhyay  J. Phys. Chem. A   127 (2023) 7080 
"To quench or not: Extending a β-carboline fluorophore for TNT detection in aqueous media via simultaneous ESPT destabilisation and AIE"
Adarash Shukla, Dilawar Singh Sisodiya, Savita Chaudhary, Anjan Chattopadhyay, Anupam Bhattacharya  J. Phys. Chem. B 127 (2023) 10025
"Conversion of amino-terephthalonitriles to multi-substituted single benzene fluorophores with utility in bioimaging"
Tanya Raghava, Anjan Chattopadhyay, Subhadeep Banerjee, Nivedita Sarkar Org. Biomol. Chem. 22 (2024) 364
"Diamino-Terephthalonitrile-based Single Benzene Fluorophores Featuring Strong Solution State Fluorescence and Large Stokes Shifts"
Tanya Raghava, Subhadeep Banerjee, Anjan Chattopadhyay  J. Org. Chem. 88 (2023) 15708 
"Photochemical Oxaziridine Conversion and Subsequent Lactam Formation Pathways of 3,5,5-trimethyl-1-pyrroline 1-oxide (3-Me-DMPO)"
Sindhuja SenDilawar Singh SisodiyaAnjan Chattopadhyay ISRAPS Bulletin 35 (2023) 30 
A DFT study on the reaction pathway involved in the metal ion-templated synthesis of benzo-21-crown-7(B21C7) from catechol and hexaethylene glycol ditosylate in presence of base” 
Dilawar Singh SisodiyaSk. Musharaf AliAnjan Chattopadhyay  J. Phys. Org. Chem.36 (2023) e4471
●“Amino-Terephthalonitrile Based Single Benzene Fluorophores with Large Stokes Shifts and Solvatochromic Behavior"
Tanya RaghavaAnjan ChattopadhyayPurushothaman BhavanaSubhadeep Banerjee    Chem-Asian J  18 (2023) e202201314
Revealing the Unexplored Mechanism of Photochemical  Oxaziridine Conversion Process of 2H-imidazole 1-oxides"
Sindhuja Sen, Dilawar Singh Sisodiya, Rajeshwari Nikam, Anjan Chattopadhyay  ChemistrySelect  7 (2022) e202202371 
"A Combination of Graphene Quantum Dots-Cationic Red Dye Donor-Acceptor Pair and Cucurbit[7]uril as Supramolecular Sensor for Ultrasensitive Detection of Cancer Biomarkers Spermine and Spermidine
Akhil A. Bhosle, Mainak Banerjee, Sharanabasava D. Hiremath, Dilawar S. Sisodiya, Viraj G. Naik, Nilotpal Barooah, Achikanath C. Bhasikuttan, Anjan Chattopadhyay, Amrita Chatterjee   J. Mat. Chem. B 10 (2022) 8258
Exploring the reaction pathway involved in the dibenzo-18-crown-6 synthesis from catechol and bis(2-chloroethyl) ether in presence of base” Dilawar Singh Sisodiya,Sk. Musharaf AliAnjan Chattopadhyay   J. Phys. Org. Chem. 35 (2022).e4309 
●"The mechanism of photoconversion of cyclic dinitrone to oxaziridine and dioxaziridine: A computational investigation of an experimentally reported photochemical reaction"
Sindhuja SenDilawar Singh SisodiyaAnjan Chattopadhyay J. Phys. Org. Chem.  35 (2022).e4310
"Synthesis of Green Emitting Multi-substituted Dibenzodioxins and Related Heteroacenes and Computational Investigation of Substituent Effects on Emission
Apeksha Ashok Phadte, Anjan Chattopadhyay, Subhadeep Banerjee, Dilawar Singh Sisodiya, Tanya Raghava   ChemistrySelect. 5 (2020) 10177
An Investigation on the Unexplored Photochemistry of 5,5-Dimethyl-1-Pyrroline 1-Oxide (DMPO)"
Sindhuja Sen, Yasaswini Oruganti, Anjan Chattopadhyay   J. Phys. Chem A  123 (2019) 163
A Computational Study on the Photochemistry of 2,4,4‐Trimethyl‐1‐pyrroline 1‐Oxide and Investigation on the Reaction Paths of Its Photoproduct Oxaziridine"
Sindhuja Sen, Anjan Chattopadhyay   ChemistrySelect  4 (2019) 12203


  • "A computational investigation on the photo-isomerization of2,4,6-octatriene and its UV-visible spectrum"
Anjan Chattopadhyay, Praveen Saini, Raymond Hakim, Adrian Komainda, Horst Köppel, Chem.Phys509 (2018) 98 
  • "Synthesis and photophysical characterization of heterocyclic dihydrotetracenes and their utility in the fluorescence imaging of HeLa cells"    Subhadeep Banerjee, Apeksha Ashok Phadte, Anjan Chattopadhyay, Joseph R. D. Fernandes, Akanksha Vinod Savardekar, Arnab Banerjee, Keisham Sarjit Singh   Tetrahedron Lett. 59 (2018) 3787
  • "Synthesis of Push-Pull Phenazines Possessing pH Responsive Absorption Spectra and Their Application in Selective Detection of Fe3+ Ions and AromaticsSubhadeep Banerjee, Apeksha Ashok Phadte, Anjan Chattopadhyay, Bhavana, P,  Keisham Sarjit Singh SynLett. 29 (2018) 1014
  • Synthesis and electronic properties of ester substituted 1,4-dicyanodibenzodioxins and evaluation of anti-proliferative activity of all isomeric 1,2-, 2,3- and 1,4-dicyanodibenzodioxins against HeLa cell line” 
Subhadeep Banerjee, Anjan Chattopadhyay, Joseph R. D. Fernandes, Arnab Banerjee, Apeksha  A Phadte, Akanksha V Savardekar, Keisham S SinghBioorg. Med. Chem. Lett. 27 (2017) 4280
  • Spectroscopic, electrochemical and DNA binding studies of some monomeric copper(II) complexes containing N2S(thiolate)Cu core and N4S(disulfide)Cu core"
Manjuri K. Koley, Om Prakash Chouhan, Sumit Biswas, Joseph Fernandes, Arnab Banerjee, Anjan Chattopadhyay, Babu Varghese, Periakaruppan T. Manoharan and Aditya P. Koley, Inorg. Chim. Acta 456 (2017) 179
  • "Exploring the isomerization paths of push-pull hexatrienes"
Anjan Chattopadhyay, Praveen Saini and Riddhish Pandharkar  RSC Advances 6 (2016) 88433
  • A Computational Investigation of the Photochemical Reaction Path of some Synthesized and Experimentally Analyzed Small-Chain Conjugated Nitrones"            Praveen Saini, Mainak Banerjee and Anjan Chattopadhyay   J. Phys. Chem A  120 (2016) 396   
  • "Synthesis and Optical Properties of 1,4-and 1,2‑Dicyanodibenzodioxins Possessing Donor-π-Acceptor Architecture  
    Subhadeep Banerjee, Anjan Chattopadhyay, Praveen Saini, Keisham Sarjit Singh SynLett.27(2016) A-F
  • Revealing the active role of the terminal CNO moiety in the photochemical oxaziridine conversion process of some chemopreventive retinyl nitrones through hybrid QM:QM and QM:MM ONIOM calculations
Praveen Saini and Anjan Chattopadhyay   Chem.Phys.Lett. 633 (2015) 6 
  • A comprehensive spectroscopic investigation of α-(2-naphthyl)-N-methylnitrone: A computational study on photochemical nitrone-oxaziridine conversion and thermal E-Z isomerization processes
Praveen Saini and Anjan Chattopadhyay   RSC Advances 5 (2015) 22148
  • "Amine functionalized tetraphenylethylene: A novel aggregation–induced emission based fluorescent chemodosimeter for nitrite and nitrate ions
Amrita Chatterjee, Dipratn G. Khandare, Praveen Saini, Anjan Chattopadhyay, Mahesh S. Majik, Mainak Banerjee, RSC Advances 5 (2015) 31479
  • A computational investigation of thephotochemical oxaziridine and amide conversion processof open-chain conjugated nitrone with electron-withdrawing trifluoromethyl group on nitrogen
Praveen Saini and Anjan Chattopadhyay   J.Chem.Sci. 127 (2015) 1757
  • "Spectroscopic studies for the changes of a Cr(II) compound in solution triggered by the deprotonation of an aqua ligand"
Manjuri K. Koley, Amrita Chatterjee, Anjan Chattopadhyay, Periakaruppan T. Manoharan, Aditya P. Koley, J.Coord. Chem 68 (2015) 2065
  • "Synthesis and photophysical characterization of quasi push–pull dicyanodibenzodioxins and their anti-tumor activity against glioma cell line C6Subhadeep Banerjee, Anjan Chattopadhyay, Arnab Banerjee, Meera Haridas, Praveen Saini,
    Moitreyi Das, Mahesh S. Majik, Yogesh Kr. Maurya,
    Bioorg. Med. Chem. Lett.25(2015) 753
  • Design, Synthesis, Physicochemical Studies, Solvation, and DNA Damage ofQuinoline-Appended Chalcone Derivative:Comprehensive Spectroscopic Approach toward Drug Discovery Himank Kumar, Anjan Chattopadhyay, R. Prasath, Vinod Devaraji, Ritika Joshi, P. Bhavana, Praveen Saini, and Sujit Kumar Ghosh     J.Phys.Chem. B 118 (2014) 725
         Praveen Saini and Anjan Chattopadhyay   RSC Advances 4 (2014) 20466
  • "An aggregation-induced emission based “turn-on” fluorescent chemodosimeter for the selective detection of ascorbate ions"Dipratn G. Khandare, Vikas Kumar,Anjan Chattopadhyay, Mainak Banerjee,  Amrita Chatterjee    RSC Advances  3 (2013) 16981 
  • A comparative spectroscopic study of the excited electronic states of potassium-neon and potassium-helium systemsAnjan Chattopadhyay Eur.Phys. J. D66 (2012)325
  • Spectroscopic properties of the low-lying electronic statesof RbHen(n = 1, 2) and their comparison with lighter alkali metal-helium systems
           Anjan Chattopadhyay               J. Phys. B: At. Mol. Opt. Phys. 45   (2012) 035101
  • Comparative study of spectroscopic properties of the low-lying electronic states of 2,4-pentadien-1-iminium cation and its N-substituted analogues
            Anjan Chattopadhyay           J. Chem.Sci.   124 (2012) 985
  • Spectroscopic features of the low-lying electronic states of some sodium-helium and potassium-helium van der Waals systems
Anjan Chattopadhyay               J. Phys. B: At. Mol. Opt. Phys. 44   (2011) 165101
  • A comparative study of the spectroscopic features of the low-lying electronic states ofH2F+and H2Cl+ ions”        Anjan Chattopadhyay             J.Chem. Sci. 122 (2010) 259
  • ”Study of excess thermodynamic properties of multicomponent liquid mixtures”Ranjan Dey,Anjan Chattopadhyay, Ashish K. Sharma, J.D. Pandey  J. Mol. Liqs 147  (2009) 155    
Before 2009
  • “Electronic States of TlX (X= As, Sb, Bi): A Configuration Interaction Study”
Anjan Chattopadhyay, Kalyan Kumar Das   J.Phys. Chem.A 108  (2004) 7306
  • “Electronic spectrum of SiO+: a theoretical study”
Surya Chattopadhyaya, Anjan Chattopadhyay, Kalyan Kumar Das  Journal of Molecular Structure (Theochem) 639 (2003) 177
  • “Electronic Spectroscopy of the AlSb Molecule: A Theoretical Study”
Anjan Chattopadhyay, Kalyan Kumar Das      J.Phys. Chem.A 107 (2003) 6047
  • “Configuration Interaction Study of the Low-Lying Electronic States of Silicon Monoxide”
Surya Chattopadhyaya, Anjan Chattopadhyay, Kalyan Kumar Das   J.Phys. Chem.A 107 (2003) 148
  • “Low-lying electronic states of InBi: a configuration interaction study”
Anjan Chattopadhyay, Surya Chattopadhyaya, Kalyan Kumar Das   Journal of Molecular Structure(Theochem) 625 (2003) 95                                                                    
  • “Configuration Interaction Study of the Low-Lying Electronic States of GaBi”
Anjan Chattopadhyay, Surya Chattopadhyaya, Kalyan Kumar Das    
J.Phys. Chem.A 106 (2002) 2685
  • “Electronic Spectrum of Silicon Monosulfide:Configuration Interaction Study”Surya Chattopadhyaya, Anjan Chattopadhyay, Kalyan Kumar Das J.Phys. Chem.A 106 (2002) 833
  • “Multireference Singles and Doubles Configuration Interaction Study of the Electronic States 
of GaSb” Antara Dutta, Anjan Chattopadhyay, Kalyan Kumar Das     J.Phys. Chem.A 104 (2000)9777