Dr. Shamik Chakraborty

Professor, Department of Chemistry &
Associate Dean, AGSRD, BITS Pilani, Pilani Campus

Department of Chemistry, Birla Institute of Technology & Science, Pilani- 333031, Rajasthan. India.



36. Dhritabrata Pal, Sumit Kumar Agrawal, Amrita Chakraborty, and Shamik Chakraborty, "Matrix-isolation FTIR spectroscopic study and quantum chemical calculations of 1:1 adduct of CHCl3 and C2H5OH in N2 matrix." (Submitted)

35. Sumit Kumar Agrawal, Amrita Chakraborty, and Shamik Chakraborty, "Atmospherically relevant halogen- and hydrogen- bond complex [CCl4-(H2Y)n] with Y = O and S, n ≤ 4: A computational study on Rayleigh scattering properties". (Accepted in Computational and Theoretical Chemistry)

34. Dhritabrata Pal and Shamik Chakraborty, "An exploration of the hydrogen bond donor ability of ammonia". (Accepted in ChemPhysChem)


33. Dhritabrata Pal and Shamik Chakraborty,"N-H---Se hydrogen bond and N---Se chalcogen bond interaction in [(CH3)2NH - (Se(CH3)2] complex: A matrix isolation infrared study." (Accepted in Journal of Molecular Structure)

32. Dhritabrata Pal, Heena Charaya, and Shamik Chakraborty, "An experimental exploration of C- H···X hydrogen bond in [CHCl3 - X(CH3)2] complexes with X = O, S, and Se". (Accepted in ChemPhysChem)


31. Dhritabrata Pal, Sumit Kumar Agrawal, Amrita Chakraborty, and Shamik Chakraborty, "Hydrogen bonding with Se in [ROH-Se(CH3)2] complex (R = H, CH3, C2H5): Matrix-isolation infrared spectroscopy and theoretical calculations." Phys. Chem. Chem. Phys., 25, 11286, 2023 (This article is part of the themed collection: 2023 PCCP HOT Articles)


30. Dhritabrata Pal, Sumit Kumar Agrawal, Amrita Chakraborty, and Shamik Chakraborty, "IR spectra of CH2I2 in Ar and N2 cryomatrices: Evidence of unusual band splitting in N2 matrix". Journal of Molecular Structure, 1261, 132853, 2022.


29. Dhritabrata Pal, Amrita Chakraborty, and Shamik Chakraborty, "Investigation of [CHCl3-CH3OH] cluster using matrix-isolation IR spectroscopy and quantum chemical calculation: Evidence of hydrogen- and halogen-bonding interaction". Chemical Physics, 555, 111451, 2022.

{DOI: 10.1016/j.chemphys.2022.111451}

28. Dhritabrata Pal and Shamik Chakraborty, "A matrix isolation infrared spectroscopic study of thermal isomerisation of 1-butanol". Chem. Phys. Lett., 775, 138617, 2021.


27. Dhritabrata Pal, Sumit Kumar Agrawal, Amrita Chakraborty, and Shamik Chakraborty, "Competition between the hydrogen bond and halogen bond in CH3OH-CCl4 complex: A matrix isolation infrared and computational study", Phys. Chem. Chem. Phys., 22, 22465, 2020.


{DOI: 10.1039/D0CP03855E}

26. Sumit Kumar Agrawal, Dhritabrata Pal, Amrita Chakraborty, and Shamik Chakraborty, "Ethanol monomer revisited: Thermal isomerisation between anti and gauche conformers in Ar and N2 matrix", Chemical Physics, 537, 110852, 2020.

{DOI: 10.1016/j.chemphys.2020.110851}

25. Bijoya Das, Amrita Chakraborty, and Shamik Chakraborty, "Experimental and theoretical investigation of ground state intramolecular proton transfer (GSIPT) in salicylideneaniline Schiff base derivatives in polar protic medium", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 225, 117443, 2020.

{DOI: 10.1016/j.saa.2019.117443}

24. Karan Jaju, Dhritabrata Pal, Amrita Chakraborty, and Shamik Chakraborty, "Electronic substituent effect on Se-H⋯N hydrogen bond: A computational study of para-substituted pyridine-SeH2 complexes". Chemical Physics Letters: X, 4, 100031, 2019. {DOI:}

23. Pragya Chopra and Shamik Chakraborty, "Computational study of red- and blue- shifted C‒H- - -Se hydrogen bond in Q3C‒H···SeH2 (Q = Cl, F, H) complexes". Chemical Physics, 500, 54, 61, 2018.

22. Bijoya Das, Amrita Chakraborty, and Shamik Chakraborty, "Effect of ionic charge on O-H- - -Se hydrogen bond: A computational study", Computational and Theoretical Chemistry, 1102, 127, 2017.

21. Parvej Alam, Gurpreet Kaur, Shamik Chakraborty, Angshuman Roy Choudhury, Inamur Rahaman Laskar, "Aggregation Induced Phosphorescence' Active 'Rollover' Iridium(III) Complex as Multi-Stimuli-Responsive Luminescence Material", Dalton Transaction, 44, 6581, 2015.

20. Sanjeed Schamnad and Shamik Chakraborty, "Substitution effect in O-H- - -Se hydrogen bond - Density Functional Theory study of substituted phenol-SeH2 complexes", Chem. Phys. Lett. 622, 28, 2015.

19. A. I. Jaman, Shamik Chakraborty, and R. Bhattacharya, "Millimeterwave rotational spectrum and theoretical calculations of cis-Propionic acid" J. Molecular Structure, 1079, 402, 2014.

18. Otto Dopfer, Alexander Patzer, Shamik Chakraborty, Ivan Alata, Reza Omidian, Michel Broquier, Claude Dedonder, and Christophe Jouvet, “Electronic and vibrational spectra of protonated benzaldehyde-water clusters [BZ-(H2O)n≤5]H+: Evidence for ground-state proton transfer to solvent for n≥3”. J. Chem. Phys. 140, 124314, 2014.

17. Amrita Chakraborty, Shamik Chakraborty, and Tapan Ganguly, "A detailed study on the mechanisms of trans-cis isomerization within a novel synthesized photoswitchable dyad: both experimental and theoretical approaches". Indian Journal of Physics, 87, 1113, 2013.

16. Shun-ichi Ishiuchi, Kohei Yamada, Shamik Chakraborty, Kiyoshi Yagi, and Masaaki Fujii, "Gas -Phase Spectroscopy and Anharmonic Vibrational Analysis of 3-Residue Peptide Z-Pro-Leu-Gly-NH2 by theLaser Desorption Supersonic Jet Technique". Chemical Physics, 419, 145, 2013.

15. Shamik Chakraborty, Kohei Yamada, Shun-ichi Ishiuchi, and Masaaki Fujii, “Gas phase IR spectra of tri-peptide Z-Pro-Leu-Gly: Effect of C-terminal amide capping on secondary structure”. Chem. Phys. Lett. 531, 41, 2012.

14. Shun-ichi Ishiuchi, Toshiro Asakawa, Haruhiko Mitsuda, Mitsuhiko Miyazaki, Shamik Chakraborty, and Masaaki Fujii, “Gas-phase Spectroscopy of Synephrine by Laser Desorption Supersonic Jet Technique.” J. Phys. Chem. A, 115, 10363, 2011.

13. Shamik Chakraborty and Otto Dopfer, “Infrared spectrum of the Ag+‑(pyridine)2 ionic complex: Probing the interactions in artificial metal-mediated base pairing.” ChemPhysChem, 12, 1999, 2011.

12. Alexander Patzer, Shamik Chakraborty, Nicola Solca, and Otto Dopfer, “IR Spectrum and Structure of the Phenyl Cation.” Angewandte Chemie Int. Ed., 49, 10145, 2010.

11. Alexander Patzer, Shamik Chakraborty, and Otto Dopfer, “Infrared spectroscopic and ab-initio studies of weakly bound clusters of benzoyl cation with Ar and H2O.” Phys. Chem. Chem. Phys. 12, 15704, 2010.

10. Shamik Chakraborty, Alexander Patzer, Anita Lagutschenkoz, Judith Langer, and Otto Dopfer, “Infrared and electronic spectroscopy of p-C6H4Cl22.” Int. J. Mass Spec. 297, 85, 2010 (Special Issue: Ion Spectroscopy).+-Ln clusters with L=Ar, N2, H2O, and C6H4Cl

09. Shamik Chakraborty, Alexander Patzer, and Otto Dopfer, “IR spectra of protonated benzaldehyde clusters, C7H7O+-Ln (L=Ar, N2; n≤2): Ion-ligand binding motifs of the cis and trans oxonium isomers.” J. Chem. Phys. 133, 044307, 2010.

08. Shamik Chakraborty, Alexander Patzer, Anita Lagutschenkoz, Judith Langer, and Otto Dopfer, “Infrared and electronic spectra of microhydrated para-dichlorobenzene cluster cations.” Chem. Phys. Lett.485, 49, 2010.

07. Shamik Chakraborty, Reza Omidyan, Ivan Alata, Iben B. Nielsen, Claude Dedonder, Michel Broquier, and Christophe Jouvet. “Protonated Benzene Dimer: an experimental and ab initio study.” J. Am. Chem. Soc. 131, 11091, 2009.

06. Himansu S. Biswal, Shamik Chakraborty, and Sanjay Wategaonkar. “Experimental evidence of O–H—S hydrogen bonding in supersonic jet.” J. Chem. Phys. 129, 184311, 2008.

05. S. Chakraborty and S. Wategaonkar. “Spectroscopic Characterisation of 1,2,4,5 Tetracyanobenzene in molecular jet.” Chemical Physics Letters, 460, 18, 2008.

04. S. Chakraborty, P. Misra, and S. Wategaonkar. “Zero kinetic energy spectroscopy of hydroquinone - water (1:1) complex: A probe for conformer assignment.” J. Chem. Phys, 127, 124317, 2007.

03. Sudip Banerjee, Shamik Chakraborty, ParthaPratimParui, DebnarayanNath, Tapas Chakraborty, and MihirChowdhury. “Identification of two conformers of 5-Indanol in a supersonic free jet”. Chemical Physics Letters, 442, 21,2007.

02. S. Chakraborty, N. Biswas, and S. Wategaonkar. “Zero Kinetic Energy Photoelectron Spectroscopic Investigations of Hydroquinone Isomers”. J. Indian Inst. Sci., Nov.-Dec., 381, 2005.

01. N. Biswas, S. Chakraborty, and S. Wategaonkar. “Gas Phase Spectroscopic Studies of Hydroquinone Dimer”, 9074, 2004.J. Phys. Chem. A, 108