National Institute Of Technology,Kurukshetra



Name : Chetti Prabhakar
Designation : Assistant Professor
Qualification : M. Sc., Ph.D (CSIR-IICT, Hyderabad)
Current Address :

CA-03, NIT Campus, NIT, Kurukshetra-136119 Haryana, India

Phone 1 (office) : 01744-23331
Phone 2 (office) :
Email :

Area Of Intrest :

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

Experience :

  • Post Ph. D.: 8 years
  • Post doctoral research: 3 years (University of Rennes-I, France and National Taiwan University, Taiwan)
  • Teaching and R & D organization: 15 years

Other :

Research Publications - 35

List of publications:


             35. 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= 2.011)

34. 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= 3.767)  

33. 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= 1.505)

32. Dicyanomethylene substituted oxocarbon dianions: A comparative computational study

Promila, A. Tripathi and Ch. Prabhakar*

Indian J. Chem. A 2018, 57A, 1121-1127 (IF= 0.566)

      31. 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= 0.935) (in press)

            30. 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= 0.525)

             29. 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= 2.011)  

             28. 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= 1.591)

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

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

Chem. Select 2017, 2, 6811-3817 (IF= 1.505)        

             26. 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= 2.011)  

            25.  Redox-Gated Tristable Molecular Brakes of Geared Rotation

T. Tseng, H-F. Lu, C-Y. Kao, C-W. Chiu, I. Chao, Ch. Prabhakar and J-S. Yang

J. Org. Chem., 2017, 82, 5354–5366 (IF= 4.849)

             24. 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 (Cover page article) (IF= 1.591)

           23.   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.       

           22. 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= 2.936)

          21. 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= 2.454)

           20. 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= 4.592)

         19. 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= 2.011)

           18. 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= 2.902)

         17. 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 (Cover page article) (IF= 0.935)

Selected as Best Articles Award for the year 2014

            16. 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= 3.177)

           15. 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= 3.177)

            14. A comparative Study of Semi-Squaraine and Squaraine Dyes Using Computational 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= 1.507)

           13. 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= 6.579)

           12. 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= 5.914)

            11. 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= 14.357)

            10. 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= 6.579)

          9. 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= 2.847)

          8. 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= 4.536)

            7. 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)

            6. 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= 4.536)

           5. 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= 1.815)

           4. 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= 2.847)

           3. 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= 2.847)

           2. 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= 2.847)

           1. 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= 2.847)

  • Paper Presentations in National/ International Symposia/ Conference: 17

 Awards -

  • Best Articles Award for the year 2014,  J. Chin. Chem. Soc., 2014, 61, 507-516
  • Fellowship of National Science Council of Taiwan
  • Fellowship of EGIDE (French Administration, University de Rennes-I)
  • Best poster Award: Poster entitled “Design and Synthesis of near UV-absorbing and thermally stable imidazole chromophores for NLO applications” presented in conference “Current Research Trends &Developments in Heterocyclic Chemistry”2006 March 17- 18 sponsored by UGC, held at Deportment of Chemistry, Osmania University, Hyderabad, India.

Ph.D Supervised :

  • 1. Ms. Promila (completed)
  • 2. Mr. Anuj Tripathi (in progress)
  • 3. Ms. V. M. Vidya (in progress)

M.Tech Dissertations:

1. Ms. Arpita P. Joshi (completed)

2. Ms. Arubhi Bansal (completed)

3. Ms. Ananta Ganjoo (in progress)

Sponsored R &D Projects :

1. DST-SERB, Fast Track Project 2015-18 (Total cost 22.81 Lakhs).

2. CSIR-HRDG,  EMR Project 2018-21  (Total cost 23.96 Lakhs)*.

3. DST-WOS-A, 2017-20  (Total cost 19.74 Lakhs, as mentor faculty; PI- Ms. V. M. Vidya)

* Ms. Ritu Mittal working as JRF under CSIR sponsored project

Contribution :

  • Developed Computational Chemistry and Molecular Modeling Laboratory (2017-18)
  • Member, Board of Studies (2013-16)
  • Member, Departmental Advisory Committee (2013-15)
  • Member, DRC (2016- 2017)
  • Warden, Hostel No. 9 (2014-2016)
  • Warden, Hostel No. 8 (2016- )

Research Collaborations :  

  1. Prof. Jye-Shane Yang

  • Organic Materials Lab, Department of Chemistry,
  •  National Taiwan University, Taipei, Taiwan.

  2.  Dr. Atul Chaskar

  • Department of Center for Nanoscience and Nanotechnology,
  • University of Mumbai, Mumbai, India.

Other :

  • Life member of Chemical Research Society of India (CRSI).
  • Life member of Materials Research Society of India (MRSI)
  • Life member of Indian Chemical Society (ICS).
  • Life member of Indian Council of Chemists (ICC).
  • Member, American Chemical Society (ACS-2015-19)
  • Life member of Indian Society for Technical Education (ISTE)
  • Editorial board member of “Journal of Modern Chemistry & Chemical Technology.
  • Fellowship of National Science Council of Taiwan.
  • Fellowship of EGIDE (French Administration, University de Rennes-I).
  • CSIR-Senior Research Fellowship (SRF) – 2008.
  • DST-Junior Research Fellowship (JRF) – 2006.
  • CSIR-UGC  National Eligibility Test (NET)-2003.