BITS Pilani

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Curriculum Vitae

                  ANJAN CHATTOPADHYAYPh.D



                   DEPARTMENT OF CHEMISTRY 

                   BITS-PILANI, K.K.BIRLA GOA CAMPUS

                   DEPARTMENT OF CHEMISTRY


                   Phone: 9503199479 (Mob)

                Office: (0832)2580 319 (off) 



                   Date of birth    2nd OCTOBER 1975


Professor,   Chemistry    2021(June)-Till date
Associate Professor, Chemistry  2015(Feb)-2021(May)

Assistant Professor,  Chemistry   2006-2015(Jan)

Lecturer,  Chemistry   2005(July-December)
Institute of Physical Chemistry, Theoretical Chemistry group, University of Heidelberg, Germany, as a visiting researcher (2015 & 2019) for collaborative research work with Prof. Dr. Horst Köppel.
Administrative and other (institutional/departmental) responsibilities handled: 
Head of the Department, Chemistry, BITS-Pilani, K.K. BIRLA Goa Campus (2015 November-2019 November)
Doctoral Counseling committee member of BITS-Pilani (2014-2017)
Member of Senate, BITS-Pilani
Warden Boys Hostel (2009-2013) 
DLSC Chairperson of Chemistry Department (2021-continuing)
DCA (Departmental Committee of Academics) Convener of Chemistry Department (2014-2016)
DRC (Departmental Research Committee) member of Chemistry Department (2013-continuing)
Nucleus member of Academic research division (2014-15)
Chemistry Department webpage coordinator
DAC (Doctoral Advisory Committee ) member of 3 Ph.D Students



Ph.D (SCIENCE) 2004–Jadavpur University, Kolkata, India

M.Sc (CHEMISTRY, Spl-Physical Chemistry) 1998– Calcutta University, Kolkata, India

B.Sc. (CHEMISTRY) 1996 – Calcutta University, Kolkata, India


OTHER QUALIFICATIONS:   NET (2000), GATE (2001) qualified                        



M.Sc.- Ranked 1st Physical Chemistry (Calcutta  University)     

            Ranked 2nd (Calcutta University), 
            Ranked 1st Presidency College (Kolkata)           



PROF. SADHAN BASU MEMORIAL AWARD  [Calcutta University, Kolkata]

CUNNINGHAM MEMORIAL AWARD [Presidency College, Kolkata


SANDIP SHOME MEMORIAL AWARD   [Presidency college, Kolkata]
AREA OF RESEARCH INTEREST:    Theoretical & Computational Chemistry



Broad Field of work- Quantum Chemistry, Spectroscopy


Current Research Interest


Computational Organic Photochemistry

 Analysis of Non-radiative decay channels, excited state, conical intersection, transition states
 Types of systems of interestNitrones, Non-polar polyenes, polar iminium ions etc.
UV-Vis and fluorescence spectra analysis of different organic and inorganic compounds & Solvent effect (in collaboration with experimental chemists)
Analysis of electronic states of Van der Waals molecules
Types of systems of interest:   Alkali metal-Rare gas molecules

RESEARCH PROJECTS (Ongoing 1 as PICompleted 3: 2 as PI  & 1 as Co-PI)


            Title of Projects





 1.A computational investigation on the reaction paths and spectroscopic properties of crown ethers

 Principal   Investigator





2. Spectroscopic                               investigation of the properties of low-lying electronic states of some chemopreventive retinyl nitrones and comparison of their light-induced properties with retinyl iminium ions

Principal   Investigator









3.Spectroscopic properties of some low-lying electronic states of alkali metal-rare gas and alkaline earth metal-rare gas molecules

Principal   Investigator








4. Photophysical studies of some selected DNA damage reactions


(PI is Prof. Sujit Kumar Ghosh, VNIT, Nagpur)







PhD Students guided:

1. Supervisor of Dr. Praveen Saini [Ph.D Degree Awarded: 2017] (Currently employed at Novartis Healthcare Pvt. Ltd., Hyderabad)
2. Supervisor of Dr. Sindhuja Sen [Ph.D Degree Awarded: 2021]


                                                List of Publications:
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 SisodiyaSk. Musharaf AliAnjan Chattopadhyay   J. Phys. Org. Chem. 
●"The mechanism of photoconversion of cyclic dinitrone to oxaziridine and dioxaziridine: A computational investigation of an experimentally reported photochemical reaction"
●"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 of 2,4,6-octatriene and its UV-visible spectrum"
Anjan Chattopadhyay, Praveen Saini, Raymond Hakim, Adrian Komainda, Horst Köppel, Chem.Phys. 509 (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 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 Singh, Bioorg. Med. Chem. Lett. 27  (2017) 4284

Spectroscopic, electrochemical and DNA binding studies of some monomeric copper(II) complexes containing N2S(thiolate)Cu core and N4S(disulfide)Cu core"

"Exploring the isomerization paths of push-pull hexatrienes"
Anjan Chattopadhyay, Praveen Saini and Riddhish Pandharkar  RSC Advances 6 (2016) 88433
Praveen Saini, Mainak Banerjee and Anjan Chattopadhyay   J. Phys. Chem A  120 (2016) 396

Revealing the active role of the terminal CNO moiety in the photochemical oxaziridine conversion process of some chemopreventive retinylnitrones 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 the photochemical oxaziridine and amide conversion process of 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 C6"
Subhadeep 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 of
Quinoline-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) 7257
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 systems”

Anjan Chattopadhyay               Eur.Phys. J. D 66 (2012) 325


●“Spectroscopic properties of the low-lying electronic states of 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 of H2F+ 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    


●“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

As Reviewer of Journals
Reviewed papers for:
ACS Omega (American Chemical Society),
Journal of Chemical Physics (American Institute of Physics),
Molecular Physics (Taylor & Francis),
Chemical Papers (Springer),
Journal of the Indian Chemical Society (Elsevier)
Indian Journal of Chemistry A (NISCAIR)
Presentations Abroad 
Delivered invited talk in the Kliener Horsaal, INF 252 at the Theoretical Chemistry Group, Institute of Physical Chemistry, University of Heidelberg, Germany (8th July 2019). Title of talk- "Computational studies on some photochemical reactions involving conical intersection".
•Delivered a talk at the 4th International Conference on Physical and Theoretical Chemistry during September 18-19, 2017 at Dublin, Ireland -Title of the Talk-“A computational investigation of the photochemical oxaziridine conversion process of some experimentally analyzed small-chain conjugated nitrones”.
Anjan Chattopadhyay, "Photochemical reaction pathways of some nitrone systems", at 9th Molecular Quantum Mechanics (MQM) at Kongresshaus Stadthalle Heidelberg, Germany (30th June - 5th July).
Presentations in India

 Delivered invited talk at the 16th TCS (Theoretical Chemistry Symposium) 2019, BITS-Pilani, Pilani Campus during February 13-16, 2019- Title of the Talk- Oxaziridine and Lactam Conversion Pathways of Some Cyclic Nitrone Systems”.
 Delivered invited talk at the DAE-CCS (Computational Chemistry Symposium) 2019, Bhabha Atomic Research Centre (BARC), Mumbai during November 7-9, 2019- Title of the TalkDifferences in the photo-chemical reaction paths of conjugated acyclic nitrones, protonated Schiff bases and neutral polyenes”.
 Delivered a talk at the  NFCFA 2017, BITS-Pilani, K.K.Birla Goa Campus during January 28-29, 2017- Title of the Talk- Isomerization channels of donor-acceptor hexatrienes through conical intersections”.
• Delivered a talk at the  NFCFA 2015, BITS-Pilani, K.K.Birla Goa Campus during Dec 18-19, 2015- Title of the Talk- Exploring the Nitrone-Oxaziridine photo-conversion path through computational studies”.
Anjan Chattopadhyay “Properties of the low-lying electronic states of 2,4-pentadien-1-iminium ion and its N-substituted analogues” at 19th ISCB International Conference (ISCBC-2013) "RECENT ADVANCES ANDCURRENT TRENDS IN CHEMICAL AND BIOLOGICAL SCIENCES” 2nd - 5th March, 2013 at Udaipur, Rajasthan
Anjan Chattopadhyay “Predissociation of the heavier halonium ions through conical intersection along the symmetric stretching path" at the 14th CRSI National Symposium in Chemistry at NIIST, Trivandrum, Kerala on Jan. 31-Feb.3, 2012.
Riddhish Pandharkar and Anjan Chattopadhyay* "Computational Investigations on the Charge Transfer Excited States of Some Fluorescent Push-Pull Systemsat NFCFA 2015, BITS-Pilani, K.K.Birla Goa Campus, 18-19 Dec 2015, (Won the second best poster award)
Dilawar Singh Sisodiya and Anjan Chattopadhyay* "A computational investigation on the role of nitro group in quenching the fluorescence of some highly fluorescent molecules through analysis of the non-radiative decay pathsat the 57th Annual Convention of Chemists & RTCS-2020, organized by Indian Chemical Society, December 26-29, 2020 
Sindhuja Sen and Anjan Chattopadhyay* "Computational studies on the reaction pathways of some cyclic nitrone systems leading to cyclic amidesat the DAE-CCS (Computational Chemistry Symposium) 2019, Bhabha Atomic Research Centre (BARC), Mumbai during November 7-9, 2019,
Praveen Saini and Anjan Chattopadhyay* "Photochemical oxaziridine conversion and thermal E-Z isomerization processes of fluorescent α-(2-naphthyl)-N-methylnitrone: A Computational Study" at AMAN 2016, BITS-Pilani, K.K.Birla Goa Campus, 11-12 Jan 2016, 
Praveen Saini and Anjan Chattopadhyay* "Computational investigations on the photochemical oxaziridine conversion and thermal E-Z isomerization processes of N-methyl retinylnitroneat NFCFA 2015, BITS-Pilani, K.K.Birla Goa Campus, 18-19 Dec 2015, 
Rakshith Chandra M S, Riddhish Pandharkar and Anjan Chattopadhyay* "A Computational Study of the Solvent Effects on the Excited States of some Fluorescent Push-pull Systems at NFCFA 2017, BITS-Pilani, K.K.Birla Goa Campus, 28-29 Dec 2017, 
Praveen Saini and Anjan Chattopadhyay* “A comparative study of the non-radiative decay channels in conjugated long-chain iminium ions and nitrones” at 16th CRSI National Symposium in Chemistry, Department of Chemistry, IIT-Bombay, 2014
Praveen Saini and Anjan Chattopadhyay* “Effects of electron-donating and electron-withdrawing groups on the photochemistry of conjugated N-substituted open-chain nitronesat 17th CRSI National Symposium in Chemistry, Department of Chemistry, NCL, Pune 2015
Other roles in conferences 
•Member of organizing committee of DAE-CCS (Computational Chemistry Symposium) 2019, Bhabha Atomic Research Centre (BARC), Mumbai 
• Co-chaired a session at NFCFA 2017 & chaired a session at NFCFA 2019 at BITS-Pilani, K.K.Birla Goa Campus
Member of Jury committee for poster competitions at DAE-CCS (Computational Chemistry Symposium) 2019, Bhabha Atomic Research Centre (BARC), Mumbai 
Courses taught for M.Sc, B.E. and Ph.D level
CHEMISTRY I (Physical Chemistry course)

ATOMIC & MOLECULAR STRUCTURE (Quantum Chemistry course)

●PHYSICAL CHEMISTRY II (Quantum Chemistry course)
●PHYSICAL CHEMISTRY III (Group Theory, Quantum Chemistry course)

●ELECTRONIC STRUCTURE THEORY (Advanced Quantum Chemistry Course)

CHEMICAL THERMODYNAMICS (Thermodynamics course)
●CHEMISTRY II (Inorganic & Organic course)
 Membership of Scientific bodies:
Life member of Indian Society of Chemists and Biologists (ISCB)
Life member of Chemical Research Society of India  (CRSI) 












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