Chetti Prabhakar

Designation:    Assistant Professor
Department:    Chemistry
Qualification:    M. Sc., Ph.D (CSIR-IICT, Hyderabad)
Address:    CA-03, NIT Campus, NIT, Kurukshetra-136119 Haryana, India
Phone No:    01744-23331
Area of Interest:    

Electronic structure and properties of organic materials, Computational Design and synthesis of optoelectronic materials, Near Infrared absorbing dyes, Molecular Docking and Drug Design

Ph. D. positions are available for highly motivated UGC-CSIR NET JRF-qualified candidates

Experience :
Post Ph. D.: 12 years
Postdoctoral research: 3 years (University of Rennes-I, France, and National Taiwan University, Taiwan)
Teaching and R & D organization: 19 years

Sponsored R &D Projects:

DST-SERB Fast Track Project 2015-18 (Total cost 22.81 Lakhs).
DST-WOS-A Project, as mentor faculty 2017-2020 (Total cost 19.74 Lakhs, PI- Ms. V. M. Vidya)
CSIR Project 2018-21 (Total cost ~23.96 Lakhs)

Ph.D. Supervised:      03 (Completed);                          04 (ongoing)

1. Ms. Promila (Thesis title: Electronic excitations, charge transfer, and diradical character studies in squaraine and croconine functional organic materials). Feb 2014- Aug. 2018 (Awarded Aug 2018).

2. Mr. Anuj Tripathi (Thesis title: Tuning of optical and charge transport properties in linear and star-shaped thiophene based organic materials: A DFT insight). (Oct 2015- Feb 2021) (Awarded Feb 2021).

3. Ms. Vidya V. M. (Thesis title: Computational Design, Synthesis and Optical Properties of Functionalized S-Triazine Derivatives). (Oct 2017- May 2021) (Awarded May 2021).

4. Mr. Vipin Kumar (2021-, ongoing)

5. Mr. Ganesh Gokul (2021- ongoing)

6. Mr. Keshari Hemant Anand (2021, ongoing)

7. Ms. Pankaj Verma (2022- ongoind)

 M. Tech. Supervised: 04(Completed);

1. Ms. Arpita Prasantini Joshi (Thesis title: Substituted S-Triazines as Anti-Cancer Agents: A Comparative Molecular Docking Study). (Awarded July 2017).

2. Ms. Arubhi Bansal (Thesis title: Tetrasubstituted Thiophenes as Potential Antimicrobial Biomolecules: A Molecular Docking Study). (Awarded Sept.  2018).

3. Ms. Ananta Ganjoo (Thesis title: Structural Deconstruction of Spleen Tyrosine Kinase Inhibitors: Pharmacophore Modelling, Molecular Docking and 3D QSAR Studies). (Awarded July 2019).

4. Mr. Satyajit Beura (Thesis title: Identification of Potential Inhibitors against Human COX-2 and SARS CoV-2 using Computational Modeling and Molecular Dynamics Simulations). (Awarded July 2020).

Invited lectures delivered in National/ international conferences/ Symposia= 13

Conducted Two GIAN (Global Initiative of Academic Networks) courses under MHRD:

  1. Vibrational Spectroscopy and the Molecular Vibrations (15-19 Jan 2018); Guest faculties, Prof. Rui Fausto (University of Coimbra, Portugal) and Prof. Gulce Ogruc Ildiz (Istanbul Kultur University, Turkey).
  2.  Electrochemical Energy Conversion and Storage (26-30 November 2018); Guest faculty, Prof. Oleg KOZADEROV, Voronezh State University, Russia.



Research Publications (Publications=106, papers presented in conference=33)

List of publications:


Optoelectronic Design and Charge Transport Properties of Benzodifuran (BDF) Isomers for Organic Electronic Devices: DFT/TD-DFT Insights.

Vipin K., Simplice. K., Pankaj V. and  Prabhakar Ch*

Spectrochimica Acta Part A, 2023, xxx,  xxx (IF= 4.831)


Perovskite Quantum Dots for Fluorescence Turn-Off Detection of Clodinafop Pesticide in Food Samples via Liquid-Liquid Microextraction.

Ghinaiya N. V., Prabhakar Ch., and Suresh K. K.

ACS Appl. Nano Mater., 2023, xxx, xxxx (IF= 6.140)


Enhanced Piezo-Photocatalytic properties of New Salophen based Ti (IV) Complexes.

Rohini V., Ranjith K., Radhika P., Mahesh S., Ramesh G., Manohar B, Someshwar P. and Prabhakar Ch.*

Inorg. Chem. Commun., 2023, 148, 110272 (IF= 3.428)


Design, Synthesis, Anticancer Activity of New Amide Derivatives derived from 1,2,3- Triazole-Benzofuran Hybrids: An Insights from

Molecular Docking, Molecular Dynamics  Simulation and DFT studies.

Naganjaneyulu G., Shiva Krishna L., Eswar P., Poojitha C., Bhaskar P., Prabhakar Ch., Aribhi B., Balajee R., Srinivasadesikan V. and Ravi K. K.

J. Mol. Str., 2023, 1273, 134250 (IF= 3.841)


Metalated Porphyrin-Napthalimide Based Donor-Acceptor Systems with Long-lived Triplet States and Effective Three Photon Absorption

Md Soif A., Chinmoy B., Botta B., Seelam P., Dipanjan B., Sudhansh K. N., Vipin K., Prabhakar Ch, Giribabu L., Soma V. R., and Raavi S. S. K.

J. Photo Chem. Photo Biol. A Chemistry, 2022, 435, 114324 (IF= 5.141)


Ultrafast Nonlinear Optical Studies of Polycyclic Aromatic Hydrocarbon (PAHs) based Benzo[b]naphtho[1,2,3,4-pqr] Perylene using Femtosecond


Sudhansh K. N., Md Soif A., Pola S., Dipanjan B., Soma V. R., Prabhakar Ch, and Raavi S. S. K.

Frontiers in Optics + Laser Science, 2022, JTu4B.15  (Scopus)


Synthesis of Titanates for Photomineralization of Industrial Wastewater and Organic pollutants.

Ramesh G., Manohar B, Narendra Babu S., Ramadevi V., Someshwar P. and  Prabhakar Ch.*

Environ. Sci.: Water Res. Technol., 2022, 8, 3065-3078  (IF= 5.819)


Single Crystal XRD, Spectroscopic, DFT Studies and Synthesis of [1,2,4]triazolo[4,3-a]pyrimidines

Ravinder K., Raj Kamal, Vipin K. and  Prabhakar Ch.

Chem. Data Collect 2022, 42, 100949.


2,4-Bis(2-(E)-arylidenehydrazinyl)quinazolines: Expeditious Synthesis, Characterization, Antiproliferative Effects Against Breast Cancer

Cell Line and Molecular Docking Studies

Ravinder K., Vipin K., Raj Kamal, Ajay K., Satwinderjeet K., Arubhi B and  Prabhakar Ch.

Chem. Select 2022, 7, e202202635 (IF= 2.307) 


Synthesis, Photophysical Properties and DFT Studies of Pyrrolo[1,2-a]quinoxaline Hosted Novel Hole Transporting Molecules for Perovskite

Solar cell (PSC)

Pratima S., Aniket K., Patil B. M., Prabhakar Ch. * and Atul C.

J. Phys. Org. Chem., 2022, 35, e4424 (IF= 2.155)


Benzo-dithiophene Based Donor-Acceptor-π-Donor-Acceptor System as Hole Transporting Materials for Efficient Perovskite Solar Cells

M. Kishore, K. Ranjith, A. Meenakshamma, Ch. Prabhakar, S. Roy, V. D. Jadhav, S. N. Babu, G. Rambabu, M. Raghavender and S. Pola

ChemPhotoChem, 2022, 6, e202200062 (IF= 3.679)


Analysis of the spectral-luminescent properties of imidazo[1,2-b]pyrido[4,3-e][1,2,4]triazin-6(7Н)-ones.

D. Y. Vandyshev, Kh. S. Shikhaliev,  M. A. Prezent, O. A. Kozaderov, O. V. Ovechinnikov, M. S. Smirnov, T. N. Ilynova, D. A. Mangusheva, R. R.

Iminova and Ch. Prabhakar

Luminescence, 2022, 37, 1689-1700 (IF= 2.613)


Ultrafast Intramolecular Charge Transfer Dynamics and Nonlinear Optical Properties of Phenothiazine based push-pull Zinc Porphyrin

Chinmoy B., Gangadhar P. S., Giribabu L., Prabhakar Ch, Dipanjan B., Soma V. R., and Raavi S. S. K.

J. Photo Chem. Photo Biol. A Chemistry, 2022, 433, 114141 (IF= 5.141)


Femtosecond Third-Order Nonlinear Optical Properties of Unconstrained Green Fluorescence Protein Chromophores

MD S. Ahmed, Chinmoy B., Dipanjan B., Prabhakar Ch, Yang J-S., Soma V. R., and Raavi S. S. K.

Frontiers in Physics., 2022, 10, 914135  (IF= 3.718)


Novel inhibitory composition based on 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol derivatives for steel acid corrosion protection.

A. A. Kruzhilin, D. S. Shevtson, A. Yu. Potapov, Kh. S. Shikhaliev,  O. A. Kozaderov, Ch. Prabhakar and V. E. Kasatkin

Int. J. Corros. Scale Inhib., 2022, 11, 774-795 (IF= Scopus)


Photooxidation of 2,2′-(ethyne-1,2-diyl)dianilines; An Enhanced Photocatalytic Properties of New Salophen based Zn (II) Complexes

Mahes S., Ramesh G., Prabhakar Ch* and Someshwar P

Photochem., 2022, 2, 358-375


DFT and TDDFT Study on Optoelectronic Properties of Fused Heterocycles with Cyclooctatetraene

Vipin K., Anuj T., Seyong C., Ramesh K. C., Ji-Youn S., Joonkyung J.,  Prabhakar Ch*

Bull. Korean Chem. Soc., 2022, 43, 990-998  (IF= 1.241)


Identification of novel quinazolinone hybrids as cytotoxic agents against C6 glioma cell lines

Shankaraiah P., Bhavani A.K.D., Sumathi C., Ramakrishna K., Anwita M., Prakash B. P., Prabhakar Ch

J. Chin. Chem. Soc., 2022, 69, 968-978  (IF= 1.753)


Organic Materials based on Hetero Polycyclic Aromatic Hydrocarbons for Organic Thin-   Film Transistors Applications

Suresh K., Ramesh G.,Yadagiri B., Anuj T.,  Prabhakar Ch * and Someshwar P.

Mater. Sci. Semicond. Process, 2022, 147, 106730 (IF= 4.644)


Identification of Potential inhibitors for Hematopoietic Prostaglandin D2 Synthase:  Computational Modeling and Molecular

Dynamics Simulations

Satyajit B. and Prabhakar Ch *

J. Mol. Str., 2022, 1259, 132704 (IF= 3.841)


Synthesis and Optical Properties of Mono- and Di-Substituted 1,3,5-Triazines Functionalized with Thiophene and Furan

Vidya VM, Someswar P and Prabhakar Ch *

J. Mol. Str., 2022, 1254, 132408 (IF= 3.841)


Impact of internal (donor/acceptor) moieties and p-spacer in triphenylamine-based dyes for DSSCs

Tripathi A., Vipin K. and Prabhakar Ch.*

J. Photo Chem. Photo Biol. A Chemistry, 2022, 426, 113738 (IF= 5.141)


Coronene-Embedded ‘Super’Coumarins

Nitisha, Prabhakar Ch. and Venkatakrishnan P.

Chem. Commun., 2022, 58, 431-434 (IF= 6.065)


Function-oriented synthesis of fluorescent chemosensor for selective detection of Al3+ in neat aqueous solution: paperstrip detection &

DNA bioimaging

Gokul G., Pownthurai B., Niloufer K. K., Mukeshkumar Y., Prabhakar Ch., Atul C.

J. Photo Chem. Photo Biol. A Chemistry, 2022, 425, 113699 (IF= 5.141)


Stability, Optical and Charge Transport Properties of Saddle-shaped     Cyclooctatetra-thiophene (COTh) isomers: A Theoretical study

Tripathi A., Vipin K. and Prabhakar Ch.*

J. Sulfur. Chem. 2022, 43, 180-192  (IF= 2.680)


Design, synthesis and Characterization of Novel Benzothiadiazine-1,1-dioxide based organic material for OLED applications

Jatin J. Lade, S-S Shiou, Y-H Tseng, M-H Chiu, Y-F Lin, C-H Chang, Prabhakar Ch., Atul C.

Chem. Select 2021, 6, 11029-11038 (IF= 2.307)


Ultrafast Excited State Relaxation Dynamics of Triphenylmethane Derivative Dye, New Fuchsine

C. Biswas, S. V. Rao, Ch. Prabhakar and S. S. K. Raavi

ChemPhysChem, 2021, 22, 2562-2572 (IF= 3.520)


New [1,2,4]-triazolo-[1,5-a]-pyrimidine-7-one corrosion inhibitors for copper in chloride environment.

A. A. Kruzhilin, D. V. Lyapun, D. S. Shevtson, O. A. Kozaderov, A. Yu. Potapov, I. D. Zartsyn, Ch. Prabhakar and Kh. S. Shikhaliev

Int. J. Corros. Scale Inhib., 2021, 10, 1474-1492 (IF= Scopus)


Efficient, Dopant free Phenazine based Hole Transporting Materials for High Performance Perovskite Solar Cells

Ramesh G., Babu N. S., Prabhakar Ch,  Someshwar P. and Raghavender M.

Solar Energy, 2021, 226, 501-512 (IF= 7.188)


New Zn (II) Complex-Composite Material: Piezo-Enhanced Photomineralization of Organic Pollutants and Wastewater from Lubricant Industry.

Venkateshwar Rao D., Mahesh S., Ramesh G., Manohar B, Prabhakar Ch., Narendra Babu S., Penumaka  N., Yadagiri B. and Someshwar P

Environ. Sci.: Water Res. Technol., 2021, 7, 1737-1747 (IF= 5.819)


New indolo[1,2-c]quinazolines for Single-crystal field effect transistor (SCFET): A united Experimental and Theoretical Studies.

Venkat Swamy P., Suresh K., Yadagiri B., Anuj T., Prabhakar Ch. *,  Anindita C.*, Kiran K. V.* and Someshwar P*

J. Phys. Org. Chem., 2021, 34, e4276 (IF= 2.155)


Carbazole-pyridine pyrroloquinoxaline/benzothiadiazine 1,1-dioxide based bipolarhosts for efficient red PhOLEDs.

Bhausaheb P., Pownthurai B., Shian-Sung C., Wei-Ling C., Dun-Cheng H., Yogesh J., Prabhakar Ch.,*, Chih-Hao C.,*, Atul C.*

Org. Electron, 2021, 96 106217 (IF= 3.868)


Synthesis of New Zn (II) Complexes for Photo decomposition of Organic Dye Pollutants,Industrial Wastewater and Photo-oxidation of methyl

Arenes under Visible-light.

Jakeer A., Jakeer P., Venkateshwar Rao D., Ranjith K., Ramesh G., Yadagiri B., Prabhakar Ch. and Someshwar P.

J. Photo Chem. Photo Biol. A Chemistry, 2021, 419,113455 (IF= 5.141)


New copper corrosion inhibitors in chloride environments based on benzo-[1,2,4]-triazolo-[1,5-a]-pyrimidine-6-carboxylates.

A. A. Kruzhilin, V. A. Polikarchyuk, O. A. Kozaderov, Kh. S. Shikhaliev, D. S. Shevtson, A. Yu. Potapov, I. D. Zartsyn, and  Ch. Prabhakar

Int. J. Corros. Scale Inhib., 2021, 10, 732-748 (IF= Scopus)


Carbazole/triphenylamine-cyanobenzimidazole hybrid bipolar host materials for green phosphorescent organic light-emitting diodes.

Bhausaheb P., Jatin L., Shian-Sung C., Yen-Chia C., Yogesh J., Prabhakar Ch.,*, Chih-Hao C.,*, Atul C.*

Org. Electron, 2021, 92 106090 (IF= 3.868)


Combined Experimental and DFT studies on Novel 9-(4/3/2-Cyanophenyl)-9H-Carbazole-3-Carbonitrile Compounds for Organic Electronics.

Bhausaheb P., Jatin L., Pratima S., Anuj T., Prabhakar Ch.,*, Yogesh J.,*, Atul C.*

J. Phys. Org. Chem., 2021, 34, e4207 (IF= 2.155)


New copper corrosion inhibitors in chloride environments based on benzo-[1,2,4]-triazolo-[1,2]-triazinones.

D. S. Shevtson, M. N. M. Mawlood, O. A. Kozaderov, Kh. S. Shikhaliev, A. A. Kruzhilin, A. Yu. Potapov, I. D. Zartsyn, and  Ch. Prabhakar

Int. J. Corros. Scale Inhib., 2021, 10, 228-244 (IF= Scopus)


A DFT study on electronic excitations, charge transfer and NLO Properties of visible absorbing squaraine and thiosquaraine dyes.

Prabhakar Ch.,*, Tripathi A., Ritu M., Atul C.

Indian J. Chem. A 2021, 60A, 370-377 (IF= 0.412)


Effective Photodegradation of Organic Pollutants in the Presence of Mono and Bi-metallic complexes under Visible-Light Irradiation.

Mahesh S., Ramesh G., Venkanna G., Prabhakar Ch., Koteshwar Rao R. and Someshwar P.

J. Photo Chem. Photo Biol. A Chemistry, 2021, 406, 112996 (IF= 5.141)


New Indolo[3,2-b]indoles based small organic molecules for Organic Thin Film Transitors (OTFTs): A Combined Experimental and DFT Study.

Venkat S. P., Mahesh S., Bhongiri Y., Anuj T.,  K. R. S. Prasad,b Anindita C.,* Someshwar P.*  and Prabhakar Ch*.

J. Mol. Str., 2021, 1229, 129491 (IF= 3.841)


Optoelectronic and Charge Transport Properties of D-n-A type 1,3,5-Triazine Derivatives: A combined experimental and DFT study.

Vidya V. M., Pola. S and Prabhakar Ch*.

Spectrochimica Acta Part A, 2021, 245, 118940 (IF= 4.831)


Impact of polycyclic aromatic hydrocarbons and heteroatomic bridges (N, S, and O) on optoelectronic properties of 1,3,5-triazine

derivatives: A computational insight.

Vidya V. M. and Prabhakar Ch*.

J. Phys. Org. Chem., 2021, 34, e4128 (IF= 2.155)


Diacetoxy iodobenzene mediated regioselective synthesis and characterisation of novel [1,2,4]triazolo[4,3-a]pyrimidines:Apoptosis inducer,

antiproliferative activities and molecular docking studies

R. Kamal, R. Kumar, V. Kumar, J. K. Bhardwaj, P. Saraf, A.  Kumar, K. Pandit, S. Kaur, Ch. Prabhakar and S.Beura

J. Biomol. Struct. Dyn., 2021, 39, 4398-4414 (IF= 5.231) 


In-silico strategies for probing chloroquine based inhibitors against SARS-CoV-2

Satyajit Beura and Prabhakar Ch *

J. Biomol. Struct. Dyn., 2021, 39, 3747-3759 (IF= 5.231) 


3-Alkyl-5-amino-1,2,4-triazoles synthesized from the fatty acids of sunflower oil processing waste as corrosion inhibitors for copper in chloride


D. S. Shevtson, Kh. S. Shikhaliev, N. V. Stolpovskaya, A. A. Kruzhilin, A. Yu. Potapov, I. D. Zartsyn, O. A. Kozaderov, D. V. Lyapun, C. Prabhakar and

A. Tripathi

Int. J. Corros. Scale Inhib., 2020, 9, 726-744 (IF= Scopus) 


Novel variants of the multicomponent reaction for the synthesis of 1,2,4-triazolo[1,5-а]pyrimidines and pyrido[3,4-е][1,2,4]triazolo[1,5-


Vladimir А. P., Yuliya V. C., Andrei Yu. P., Irina V. L., Yevgeniya А. K., Mikhail Yu. K.*,Oleg А. K., Gennadiy V. S., Dmitriy Yu. V., Khidmet S. S.,

Prabhakar. Ch*

Chemistry of Heterocyclic Compounds, 2020, 56, 1054-1061 (IF= 1.519) 


Influence of Internal Acceptor and Thiophene Based π-spacer in D-A-π-A System on Photophysical and Charge Transport Properties for efficient

DSSCs: A DFT Insight..

Tripathi A.,  Ganjoo A. and Prabhakar Ch*.

Solar Energy, 2020, 209, 194-205 (IF= 7.188) 


Linear and Non-Linear Optical Characteristics of Some 1,3,5-Triazines Influenced by Prototropic Tautomerism: A DFT Study.

Vidya V. M. and Prabhakar Ch*.

Opt. Mater., 2020, 109, 110365 (1-9) (IF= 3.754) 


Inhibition of Copper Corrosion with N-Arylaminotriazoles in Aqueous Chloride Solutions and in Air.

D. S. Shevtsov, Kh. S. Shikhaliev,*, E. S. Komarova, A. A. Kruzhilin, G. O. Kipriyanova, A. Yu. Potapov, I. D. Zartsyn, O. A. Kozaderov,

Ch. Prabhakar, and A. Tripathi.

Russian Journal of Applied Chemistry, 2020, 93, 1152-1159 (IF= 0.850) 


Cost effective thiophene assisted novel dopant-free hole transport materials for efficient perovskite solar cell performance

M. SasiKumar, M. Gurulakshmi, A. Meenakshamma, S. Mahesh, V. J. Rao, S. N. Babu, C. Prabhakar, M. Raghavender   and P. Someshwar

Sustain. Energy Fuels, 2020, 4, 4754-4767 (IF= 6.813) 


Identification of potential human COX-2 inhibitors using computational modeling and   molecular dynamics simulations

Satyajit Beura and Prabhakar Ch *

J. Mol. Str., 2020, 1216, 128271 (IF= 3.196) 


Enhanced Charge Transport Properties in Heteroatomic (NH, O, Se) Analogs of Benzotrithiophene (BTT) isomers: A DFT insight

A. Tripathi and Ch. Prabhakar*

Mol. Simulat., 2020, 46, 548-556 (IF= 2.346) 


Effect of Fluorine on Optoelectronic Properties in DI-A-DII-A-DI type Organic Molecules: A combined experimental and DFT study

E. Appalanaidu, V. M. Vidya, B. M. Reddy, J. R. Vaidya and Prabhakar Ch *

J. Mol. Str., 2020, 1210, 12809 (1-10) (IF= 3.841) 


Substitution Tuned Electronic Absorption,Charge Transfer and Non-linear Optical Properties of some D-A Type 2,4,6-Trisubstituted-1,3,5-Triazines: A DFT Study

Vidya V. M. and Ch. Prabhakar*

B. Mater. Sci., 2020, 43:80 (1-11) (IF= 1.783)


A DFT study on optical, electronic and charge transport properties of star-shaped    Benzo[1,2-b:3,4-bʹ:5,6-b]trithiophene oligomers

A. Tripathi, O. Kozaderov, K. Shikhaliev and Ch. Prabhakar*

J. Phys. Org. Chem., 2020, 33, e4037 (1-9) (IF= 2.155) (Cover page article)


Optical and Charge Transport Properties in Chalcogen (O, S and Se) based acene molecules

A. Tripathi and Ch. Prabhakar*

J. Mol. Str. 2020, 1203, 127397 (1-8) (IF= 3.841)


Structural assessment and identification of 11β-hydroxysteroid dehydrogenase type 1 inhibitors

A. Ganjoo , A. Tripathi and Ch. Prabhakar*

J. Biomol. Struct. Dyn., 2020, 38, 4928-4937 (IF= 5.231)


A DFT Probe on the Linear and Non-Linear Optical Characteristics of some Star Shaped DI-π-DII-A type Acetylene Bridged Rigid Triazines

Vidya V. M. and Ch. Prabhakar*

J. Phys. Org. Chem., 2020, 33, e4027 (1-10) (IF= 2.155)


3-sulphinyl-5-amino-1H-1,2,4-triazoles as inhibitors 2 of copper corrosion

D. Shevtsov, O. Kozaderov, K. Shikhaliev, E. Komarova, A. Kruzhilin, A. Potapov, Ch. Prabhakar and, I. Zartsyn

Applied Sciences 2019, 9 , 4882 (1-14) (IF= 2.838)


Copper corrosion inhibition in chloride environments by 3-(N-hetaryl)-5-amino-1H-1,2,4- Triazoles

O.A. Kozaderov, Kh.S. Shikhaliev*, Ch. Prabhakar*, D.S. Shevtsov, A.A. Kruzhilin, E.S. K omarova, A.Yu. Potapov and I.D. Zartsyn

Int. J. Corros. Scale Inhib., 2019, 8, 422-436 (IF= Scopus)


A coumarin-benzothiazole derivative as a FRET3 based chemosensor of adenosine 5’-triphosphate

M. T. Gabr, M. M. H. Ibrahim, A. Tripathi and Ch. Prabhakar

Chemosensors, 2019, 7, 34 (1-11) (IF= 4.229)

45 A  very  Fast Photodegradation  of  Dyes in  the  Presence  ofNew Schiff’s Base N4-Macrocyclic Ag-doped Pd(II) Complexes under Visible-Light Irradiation

G. Venkanna,  A. Jakeer, S. Mahesh, G. V. Charan, Ch. Prabhakar and S. Pola

J. Photo Chem. Photo Biol. A Chemistry, 2019, 382, 111975 (1-9) (IF= 5.141)


Corrosion of α-Brass in Solutions Containing Chloride Ions and 3-Mercaptoalkyl-5-amino-1H-1,2,4-triazoles

O. KozaderovK. ShikhalievCh. PrabhakarA. TripathiD. ShevtsovA. KruzhilinE. KomarovaA. PotapovI. Zartsyn  and Y. Kuznetsov

Applied Sciences 2019, 9 , 2821 (1-15) (IF= 2.838)


Linear and Femtosecond Nonlinear Optical Properties of Soluble Pyrrolo[1,2-a] Quinoxalines

C. Biswas, K. N. Krishnakanth, J. J. Lade, A. C. Chaskar, A. Tripathi, Ch. Prabhakar, S. V. Rao and S. S. K. Raavi

Chem. Phys. Lett. 2019, 730, 638- 642 (IF= 2.719)


Low cost ‘green’ dye sensitized solar cells based on New Fuchsin dye withaqueous  electrolyte and platinum-free counter electrodes

K. K. Ramesh,  S. Bhattacharya, L. S. Cardoso, P. B. Miranda, S. V. Rao, Ch. Prabhakar, D. Melepurath and S. S. K. Raavi

Solar Energy 2019, 188, 913-923 (IF= 7.188)


Evolution of Physical and Photocatalytic Properties of New Zn(II) and Ru(II) complexes

V. Gugulothu, J. Ahemed, M. Subburu, B. Yadagiri, R. Mittal, Ch. Prabhakar and  S.Pola

Polyhedron 2019, 170, 412-423  (IF= 2.975)


In silico structural anatomization of spleen tyrosine kinase inhibitors: Pharmacophore modeling, 3D QSAR analysis and molecular docking studies

A. Ganjoo and Ch. Prabhakar*

J. Mol. Str. 2019, 1189, 102-111 (IF= 3.841)


Optoelectronic and Charge Transport Properties of Truxene, Isotruxene and its Heteroatomic (N, O, Si and S) analogs: A DFT Study

A. Tripathi and Ch. Prabhakar*.

J. Phys. Org. Chem., 2019, 32, e3944 (1-9) (IF= 2.155)


Eco-friendly synthesis, crystal structures, photophysical properties and DFT studies of new N-arylthiazole-5-carboxamides

J. Miryala, A. Tripathi, Ch. Prabhakar, D. Sarma, S. Pola, B. Satyanarayana

J. Mol. Str. 2019, 1184, 193-199  (IF= 3.841)


Optoelectronic properties of benzotrithiophene isomers: A density functional theory study

A. Tripathi and Ch. Prabhakar*

J. Chin. Chem. Soc., 2019, 66, 891-898  (IF= 1.753)


Impact of heteroatom (S and N) position and change in central ring of anthracene with heterocyclic ring on charge transport and optical

properties in anthratetrathiazole (ATTz)

A. Tripathi and Ch. Prabhakar*

J. Sulfur. Chem. 2019, 40, 361-376  (IF= 2.680)


Linear, Non-linear Optical Properties and Reorganization energies of D- π-A star shaped Triazine Derivatives: A DFT Study

V. M. Vidya, A. Tripathi and Ch. Prabhakar*

J. Mol. Str. 2019, 1176, 855-864 (IF= 3.841)


Triazolopyridine hybrids as bipolar host materials for green phosphorescent organic light-emitting diodes (OLEDs)

K. S. Vadagaonkar, C-J. Yang, W-H. Zeng,J-H. Chen, B. N. Patil, Ch. Prabhakar, L-Y. Chen and A. C. Chaskar

Dyes and Pigments 2019, 160, 301-314 (IF= 5.122)


Pyrrolo[1,2-a]quinoxaline based bipolar host materials for efficient red phosphorescent OLEDs

B. N. Patil, J. J. Lade, K. S. Vadagaonkar, Ch. Prabhakar and A. C. Chaskar

Chem. Select 2018, 3, 10010-10018 (IF= 2.307)


Dicyanomethylene substituted oxocarbon dianions: A comparative computational study

Promila, A. Tripathi and Ch. Prabhakar*

Indian J. Chem. A 2018, 57A, 1121-1127 (IF= 0.412)


Impact of replacement of central benzene ring in Anthracene by Heterocyclic ring on Electronic excitations and Reorganization energies in

Symmetrical Anthratetrathiophene (ATT) molecule

A.Tripathi and Ch. Prabhakar*

J. Chin. Chem. Soc., 2018, 65, 918-924 (IF= 1.753)


Mono-, Di- and Tri- substituted S-triazine as anticancer agents: A comparative molecular docking study

A. P. Joshi, A. Tripathi and Ch. Prabhakar*

Indian J. Chem. B 2018, 57B, 816-822 (IF= 0.0.456)


A Comparative Computational study of C-N and C-C bonding visible to NIR absorbing Croconines.

A. Tripathi and Ch. Prabhakar*

J. Mol. Str. 2018, 1155, 561-567 (IF= 3.841)


Visible to NIR absorbing C-N and C-C bonding Squaraines: A computational study.

A. Tripathi, Promila and Ch. Prabhakar*.

J. Phys. Org. Chem., 2018, 31, e3758 (IF= 2.155)


Iron Catalyzed Cascade Protocol for the Synthesis of Pyrrolo[1,2-a]quinoxalines: A Powerful Tool to Access Solid State Emissive Organic


Jatin J. Lade, Bhausaheb N. Patil, Pratima A. Sathe, Kamlesh V. Vadagaonkar, Ch. Prabhakar, Atul C. Chaskar

Chem. Select 2017, 2, 6811-6817 (IF= 2.307)


Visible absorbing croconium dyes with intramolecular hydrogen bonding: A combined experimental and computational study

Ch. Prabhakar*, Promila, A. Tripathi, K. Bhanuprakash   and V. J. Rao

J. Mol. Str. 2017, 1146, 684-691 (IF= 3.841)  


Redox-Gated Tristable Molecular Brakes of Geared Rotation

T. TsengH-F LuC-Y KaoC-W ChiuI ChaoCh. Prabhakar, and J-S Yang

J. Org. Chem., 2017, 82, 5354–5366 (IF= 4.198)


Visible absorbing symmetrical squaraine and croconine dye derivatives: A comparative computational study

A. Tripathi, Promila and Ch. Prabhakar*.

J. Phys. Org. Chem., 2017, 30, e3673  (IF= 2.155) (Cover page article)


Optical absorption and electronic properties of 4-amino antipyrine schiff’s bases: A combined experimental and DFT study.

B. Anupama, A. Aruna, A. Tripathi and Ch. Prabhakar*.

J. Mod. Chem. Chem. Tech. 2017, 8, 1-13.


Synthesis of New Fused Heterocyclic Aromatic Hydrocarbons via C-S and C-C bonds formation by C-H Bond Activation in the Presence of New

Pd(II) Schiff’s Base Complexes

S. Pola, Y. Bhongiri, R. Jadhav, Ch. Prabhakar and G. Venkanna.

RSC Adv., 2016, 6, 88321–88331 (IF= 4.036)


DABCO-catalyzed one-pot three component synthesis of dihydropyrano[3,2-c]chromene substituted quinazolines and their evaluation towards

anticancer activity.

S. Vodnala, A. K. D. Bhavani, R. Kamutam , V. G. M. Naidu, Promila and Ch. Prabhakar.

Bioorg. Med. Chem. Lett. 2016, 26, 3973–3977 (IF= 2.940)


Light-Gated Molecular Brakes Based on Pentiptycene-Incorporated Azobenzenes.

W- S Tan, P-Y Chuang, C-H Chen, Ch. Prabhakar, S-J Huang, S-L Huang, Y- H. Liu, Y-C Lin, S-M Peng and J- S. Yang.

Chem. Asian J. 2015, 10, 989-997 (IF= 4.839)


Enhanced Molecular First Hyperpolarizability in s-Triazine Derivatives: Combined Experimental and Computational Studies.

K. Srinivas, Ch. Prabhakar*, S. Sitha, K. Bhanuprakash and V. J. Rao.

J. Mol. Str. 2014, 1075, 118- 123 (IF= 3.841)


Effects of Iptycene Scaffolds on the Photoluminescence of N,N-Dimethyl- aminobenzonitrile and Its Analogues.

W- S Tan, Ch. Prabhakar, Y- H. Liu, S-M. Peng and J- S. Yang

Photo Chem. Photo Biol. Sci., 2014, 13, 211-223 (IF= 3.982)


Light- and Redox- Gated Molecular Brakes Consisting of a Pentiptycene Rotor and an Indole Pad.

C-Y. Kao, I-T. Lee, Ch. Prabhakar, and J-S. Yang

J. Chin. Chem. Soc., 2014, 61, 507-516 (IF= 1.753) (Cover page article)

Selected as Best Articles Award for the year 2014


Effects of Hydrogen Bonding on Internal Conversion of GFP-like Chromophores: I. The para-Amino Systems.

G-J. Huang, C-W. Cheng, H-Y. Hsu, Ch. Prabhakar, Y-P. Lee, E. W-G. Diau and J-S. Yang

J. Phys. Chem. B 2013, 117, 2695- 2704 (IF= 3.466)


Effects of Hydrogen Bonding on Internal Conversion of GFP-like Chromophores: II. The meta-Amino Systems.

C-W. Cheng, G-J. Huang, H-Y. Hsu, Ch. Prabhakar, Y-P. Lee, E. W-G. Diau and J-S. Yang

J. Phys. Chem. B 2013, 117, 2705- 2716 (IF= 3.466)


A comparative Study of Semi-Squaraine and Squaraine Dyes UsingComputational Techniques: Tuning the Charge Transfer /Biradicaloid

Character by Substitution.

A. L. Puyad, G. K. Chaitanya , Ch. Prabhakar and K. Bhanuprakash

J. Mol. Model. 2013, 19, 275- 287 (IF= 1.810)


Site-Selective Hydrogen-Bonding Induced Fluorescence Quenching of Highly Solvatofluorochromic GFP like Chromophores.

G-J. Huang, J-H. Ho, Ch. Prabhakar, Y-H. Liu, S-M. Peng and J-S. Yang

Org. Lett. 2012, 14, 5034- 5037 (IF= 6.072)


Star-Shaped Oligothiophenes Containing an Isotruxene Core: Synthesis,Electronic Properties, Electropolymerization, and Film Morphology.

T-A. Liu, Ch. Prabhakar, J-Y. Yu, C-H. Chen, H-H. Huang, and J-S. Yang

Macromolecules. 2012, 45, 4529- 4539 (IF= 6.057)


Ortho-Branched Ladder-Type Oligophenylenes with Two-Dimensionally π- Conjugated Electronic Properties.

H-H. Huang, Ch. Prabhakar, K-C. Tang, P-T. Chou, G-J. Huang, and J-S. Yang

J. Am. Chem. Soc. 2011, 133, 8028–8039 (IF= 16.383)


A Redox-Gated Slow-fast-stop Molecular Rotor.

C-H. Yang, Ch. Prabhakar, S-L. Huang, Y-C. Lin, W- S. Tan, N. C. Misra, W-T. Sun, and J-S. Yang

Org. Lett. 2011, 13, 5632-5635 (IF= 6.072)


Ortho-Amino Conjugation Effect on the Photochemistry of trans-Aminostilbenes.

C-K. Lin, Ch. Prabhakar, and J-S. Yang

J. Phys. Chem. A 2011, 115, 3233–3242 (IF= 2.944)


Third Order Nonlinear Optical Properties of Squaraine dyes having absorption below 500 nm: A Combined Experimental and Theoretical

Investigation of Closed shell Oxyallyl Derivatives.

Ch. Prabhakar, K. Bhanuprakash, V. J. Rao, M. Balamuralikrishna, and D. N. Rao

J. Phys. Chem. C 2010, 114, 6077- 6089 (IF= 4.177)


High Level Computational Studies of Rhodizonate Derivatives: Molecules Absorbing in Near Infrared Region Due to Larger C-C-C Angle of the

Oxyallyl Ring.

A. L. Puyad, Ch. Prabhakar, K. Yesudas, K. Bhanuprakash and V. J. Rao

J. Mol. Str., (THEOCHEM) 2009, 904, 1- 6 (IF= 1.549)


Linear and Nonlinear Optical Properties of Mesoionic Oxyallyl Derivatives: Enhanced Non-Resonant Third Order Optical Nonlinearity in

Croconate Dyes.

Ch. Prabhakar, K. Yesudas, K. Bhanuprakash, V. J. Rao, R. S. S. Kumar and D.N. Rao

J. Phys. Chem. C 2008, 112, 13272- 13280 (IF= 4.177)


Estimation of the first excitation energy in diradicaloid croconate dyes having absorption in the near infra red (NIR): A DFT and SF-TDDFT study.

A. Thomas, K. Srinivas, Ch. Prabhakar, K. Bhanuprakash, and V. J. Rao

Chem. Phys. Lett. 2008, 454, 36- 41 (IF= 2.719)


Enhanced Diradical Nature in Oxyallyl Derivatives Leads to Near Infra Red Absorption: A Comparative Study of the Squaraine and Croconate

Dyes Using Computational Techniques.
K. Srinivas, Ch. Prabhakar, C. L. Devi, K. Yesudas, K. Bhanuprakash, and V. J. Rao
J. Phys. Chem. A 2007, 111, 3378- 3386 (IF= 2.944)

03 Structure, Bonding, and Lowest Energy Transitions in Unsymmetrical Squaraines: A Computational Study.
K. Yesudas, G. K. Chaitanya, Ch. Prabhakar, K. Bhanuprakash, and V. J. Rao
J. Phys. Chem. A 2006, 110, 11717- 11729 (IF= 2.944)
02 Near Infrared Absorption in Symmetric Squarailium and Croconate Dyes: A Comparative Study Using Symmetry Adopted Cluster Configuration

Interaction Methods.
Ch. Prabhakar, G. K. Chaitanya, S. Sitha, K. Bhanuprakash, and V. J. Rao.
J. Phys. Chem. A 2005, 109, 8604- 8616 (IF= 2.944)

01 Role of oxyallyl substructure in the near infrared (NIR) absorption in symmetrical dye derivatives: A computational study.
Ch. Prabhakar, G. K. Chaitanya, S. Sitha, K. Bhanuprakash, and V. J. Rao.
J. Phys. Chem. A 2005, 109, 2614- 2622 (IF= 2.944)

Conferences/ Symposia Organized:

  1. National conference on “Promotion of Research, Mentoring & Dissemination of the IKS Knowledge through Higher Education Institutions Under UBA” (19-20 Oct 2022) – as secretary.
  2. International conference on “Multifunctional Materials: Analytical Techniques and Diverse Applications (20 Jan 2018)”- as coordinator
  3. “Molecule & Materials Technology: Interface with R&D and Industries (MMT-17)” as co-coordinator



Professional recognition, awards, fellowships received:

  1. Received “Best Faculty Award under Research Activities” from NIT Kurukshetra for the academic year 2021-22
  2. Member American Chemical Society (ACS-2015-22)
  3. Member Royal Society of Chemistry (MRSC-2020-21)
  4. Life member of Chemical Research Society of India (CRSI).
  5. Life member of Materials Research Society of India (MRSI)
  6. Life Fellow of Indian Chemical Society (ICS).
  7. Life member of Indian Council of Chemists (ICC).
  8. Life member of Indian Society for Technical Education (ISTE)
  1. Fellowship of National Science Council of Taiwan.
  2. Fellowship of EGIDE (French Administration, University de Rennes-I)



Responsibilities at Institute/ Department level:

  • Deputy Chief Warden, Boys Hostels (July 2022-till date)
  • Chairman Institute Handbook (July 2022- till date)
  • Member Library committee (July 2022- till date)
  • Co-coordinator RCI-UBA cell (Oct 2022- till date)
  • Warden, Hostel No.6 (June 2019- June 2022)
  • Member Departmental Research Committee (2016-17 & 2022- 24)
  • Member Departmental Advisory Committee (2013-15 and 2021-23)
  • Member Board of Studies (2013-216 and 2022-25)
  • Member Departmental Purchase Committee (2017-)
  • Faculty in-charge volleyball (2017-18)
  • Warden, Hostel No.8 (2016- May02019)
  • Reporting centre module officer for B. Tech. Admissions (academic years 2015-16,2016-17 and 2017-18)
  • Faculty in-charge Weight Lifting & power lifting and Gym (2018-May-2019)
  • Warden, Hostel No.9 (2014-2016)
  • Course coordinator, Chemistry-I, CHT-105
  • Course coordinator, Chemistry-II, CHT-106
  • Course coordinator, Chemistry-I, CHY-101T
  • Course coordinator, M. Tech., CHY-501T, CHY-514T and CHY-524S
  • Course coordinator, Ph. D., CHY-706T


  • Overseas thesis examiner
  • As Ph. D. adjudicator/ Examiner for Various Universities
  • As reviewer for various journals from ACS, RSC, Wiley, Science Direct, Springer and NISCAIR