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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.

Courses

 

Teaching

 

On going courses:

  • Physical Chemistry III (CHEM F244): The first part is based on symmetry, principles of group theory, and its application in molecular spectroscopy and quantum chemistry. Second part is based on comprehensive survey of various approximation methods in quantum chemistry (HF, CI, MPPT, DFT). In addition, basic concepts of molecular mechanics approach is also included.
  • Chemical Experimentation (CHEM C411):

 

Courses Taught

  • Photochemistry and Laser Spectroscopy (CHEM C412):
  • Course 02 : Chemistry Laboratory
  • Course 03 : Photochemistry and Laser Spectroscopy

 

Research Interest


Current Research Focus:

  •  Non-covalent interactions: Hydrogen bonding, halogen bonding etc. 
  • Atmospheric science and astrochemirty.
  • Design and characterization of ionic receptor molecules. 
  • Competition between charge transfer and proton transfer processes.
  • The structure and excited state dynamics of cold molecular ions and ion-molecule complexes.

 

Experimental and theoretical methods:

  1. Spectroscopy of cold molecules using Matrix Isolation:
    In our lab we are applying Matrix Isolation Infrared Spectroscopy to study the nature of weak intermolecular hydrogen bonding interactions.The facility consists of a Fourier Transform Infrared Spectrometer, a closed cycle 10K Cryostat.

    The components are premixed in the mixing chamber and are then deposited on the spectroscopic window of the cold head of the cryostat where rapid cooling of the mixed gases takes place and forms the matrix. Infrared spectroscopy is performed on the deposited matrix to understand the nature of the interactions.
  2.  Simple organic syntheses - involving one or two steps.
  3. Characterization using NMR, IR etc.
  4. Spectroscopic investigations: UV-VIS, Steady state and time-resolved fluorescence.
  5. Theoretical calculations: DFT, MP2, TD-DFT, CC2 etc.

 

The technique of Matrix Isolation allows us to study reactive intermediates, radicals, strained rings, etc. by trapping and isolating the reactive molecules in a cavity surrounded by one or more layers of inert material (Ar, N­2 etc.) thereby inhibiting the diffusion of the substrate. Various spectroscopic techniques, such as, UV- VIS and IR can be used to study the isolated materials.