Dr. B. Rajakumar

Associate Professor

Email : rajakumar@iitm.ac.in
Phone: (044) 2257 4231

Academic profile

  • B.Sc. (1993): S.D.S. College of arts and applied sciences, Shreeramnagar.
  • M.Sc. (1996): School of Chemistry, Andhra University, Visakhapatnam
  • Ph.D. (2002): Indian Institute of Science, Bangalore.
  • (Research Supervisors: Professor E.Arunan  http://ipc.iisc.ernet.in/arunan.html)
    and Professor K. P. J. Reddy   http://www.aero.iisc.ernet.in/laser/home.html  )

    Post Doctoral Research:

    At the National Oceanic and Atmospheric Administration (NOAA, http://www.noaa.gov/) through the Co-operative Institute for Research in Environmental Sciences (CIRES, http://cires.colorado.edu/) of University of Colorado (http://www.colorado.edu/), Boulder, Colorado, U. S. A, 2003 -2006

    Research Supervisor: Professor A. R. Ravishankara
    (http://www.colorado.edu/chemistry/DEC/people/ravishankara.html)

    Research interests:

    Combustion & Atmospheric Chemistry, Cavity ring down spectroscopy, and Gas Phase Chemical Kinetics

    Atmospheric Chemical Kinetics and Spectroscopy


    Any volatile organic compound (VOC) that is released in to the atmosphere will be lost in several processes, namely, via their reaction with OH radicals, photochemical decomposition, wet and dry deposition etc. The lifetime of any VOC is mainly governed by its reaction with OH radicals in the troposphere. Our research group will focus mainly on the determination of the rate coefficients of the reactions of VOC with OH radicals.

    PLP-LIF Method

    The method we employ to determine the rate coefficients of the elementary atmospheric reactions in our laboratory is Pulsed Laser Photolysis – Laser Induced Fluorescence (PLP-LIF). We monitor the fluorescence of OH radicals using this method. Experimentally measured rate coefficients are used directly in the determination of the atmospheric lifetime of the particular VOC.

    Cavity Ring Down Spectroscopy

    To determine the absorption cross-sections and the quantum yield of formation of the transient species in the atmosphere, we adopt Cavity Ring Down Spectroscopic method. This is a wonderful tool, which is extremely sensitive because of very large path length (tens of kilometers).

    Combustion Processes

    The thermal rate constants are very much required to model combustion processes, incineration processes and also in the modeling of thermal decomposition of polyatomic molecules, which decompose through a complex reaction mechanism. A single pulse shock tube (SPST) will be used in the investigation to study the thermal decomposition of the molecules of interest. In this regard a new SPST facility is being established. Optical diagnostics like Laser Schlieren (LS) and Atomic Resonance Absorption Spectroscopy (ARAS) methods will be employed in near future.

    Publications:

    1. “Unimolecular HCl elimination from 1,2-dichloroethane: A Single Pulse Shock Tube and ab initio study”. B.Rajakumar, K. P. J. Reddy, E. Arunan. J. Phys. Chem. A 2002, 106, 8366.

    2. “Chemical kinetics studies at high temperature using Shock Tubes”. B.Rajakumar, D. Anandraj, K. P. J. Reddy and E. Arunan. J. Ind. Inst. Sci. 2002, 82, 37.

    3. “Thermal decomposition of 2-fluoroethanol: A Shock Tube and ab initio study”. B.Rajakumar, K. P. J. Reddy, E. Arunan. J. Phys. Chem. A. 2003, 107, 9782- 9793.

    4. Ab initio, DFT and transition state theory calculations on 1, 2-HF, HCI and CIF elimination reactions from CH2F–CH2Cl”. B.Rajakumar, E. Arunan.  Phys. Chem. Chem. Phys. 2003, 5, 3897-3904.

    5. “Rate Coefficients for the Reaction of hydroxyl radical with FCH2CH2OH between 250 and 355K”; B. Rajakumar, Robert W. Portmann, James B. Burkholder, A. R. Ravishankara. Phys. Chem. Chem. Phys. 2005, 7, 2498-2505.

    6. “Kinetics of the reaction of OH radical with CF3CH2CH3, CHF2CHFCHF2 and CF3CHFCHF2 in the temperature range of 238-375K”; B. Rajakumar, R. W. Portmann, James B. Burkholder, A. R. Ravishankara. J. Phys. Chem. A. 2006, 110, 6724.

    7. “Rate coefficients for the relaxation of OH(v=1) by O2at Temperatures from 204 – 371 K and by NO2 from 243 – 372 K. David C. McCabe, B.Rajakumar, I. W. M. Smith, A. R. Ravishankara. Chem. Phys. Lett. 2006, 421, 111-117.

    8. “Kinetics of Quenching of OH (v=1) and OD (v=1) by H2O and D2O from 260 to 370K”; David C. McCabe, B.Rajakumar, P. Marshall, I. W. M. Smith, A. R. Ravishankara. Phys. Chem. Chem. Phys. 2006, 8, 4563.

    9. “Visible absorption spectrum of acetyl radical” B. Rajakumar, Thomas Gericzak, John E. Flad, A. R. Ravishankara, James B. Burkholder, J. Phys. Chem. A. 2007, 111, 8950-8958. (Cover page Article, issue 37).

    10. “The CH3CHO quantum yield in the 248 nm photolysis of acetone, methyl ethyl ketone, and biacetyl” B.Rajakumar, Thomasz Gierczak, John E. Flad, A. R. Ravishankara, James B. Burkholder. J. Photo. Chem. Photo. Biol. A: Chemistry, 2008, 199, 336-344.

    11. “Rate coefficients for the reactions of the acetyl radical, CH3CO, with Cl2 between 253 and 384 K” Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder. Int. J. Chem. Kinet. 2009, 41, 543-553.

    12. “Rate coefficients for the Reaction of OH with CF3CH2CH3 (HFC-263fb) between 200 and 400K: ab initio, DFT and Transitions State Theory Calculations” Mohamad Akbar Ali, B. Rajakumar. J. Comp. Chem. 2010, 31, 500-509.

    13. “Kinetic study of the reaction of the acetyl radical, CH3CO,  with O3 using cavity ring-down spectroscopy” Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder. Chem. Phys. Lett. 2010, 484, 160-164.

    14. “Rate Coefficients for the Reactions of OH with n-propanol and iso-propanol between 235 and 376K” B.Rajakumar, David C. McCabe, Ranajit K. Talukdar, A. R. Ravishankara, Int. J. Chem. Kinet. 2010, 43, 10.


    15. “Kinetics of OH radical reaction with CH3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and Transition State Theory Calculations” Mohamad Akbar Ali, B.Rajakumar. Journal of Molecular Structure: THEOCHEM, 2010, 949, 73.


    16. “Thermodynamic and kinetic studies of hydroxyl radical reaction with bromineoxide using density functional theory” Mohamad Akbar Ali, B.Rajakumar. Computational and Theoretical Chemistry, 2011, 964, 283.


    17. "Computational studies on CHF2CHFCHF2 (HFC-245ea) + OH reaction between 200 and 400 K: Gaussian-3 and transition state theory calculations” Mohamad Akbar Ali, B.Rajakumar. International Journal of Chemical Kinetics, 2011, (Accepted).


    18. “Kinetic parameters  of OH radical reaction with CH3OCH2F (HFE-161) in the temperature range of 200 – 400 K: Transition State Theory and ab initio calculations” Veerabhadrarao Kaliginedi, Mohamad Akbar Ali and B.Rajakumar. International Journal of Quantum Chemistry 111 (2011), DOI:  10.1002/qua.23075.


    19. "Abstraction Kinetics of H-Atom by OH Radical from Pinonaldehyde: Ab Initio and Transition-State Theory Calculations" Manas Ranjan Dash and B. Rajakumar; J. Phys. Chem (accepted See)


    Peer Reviewed Conference Papers :
    1. “Single Pulse Shock Tube Studies of 1,2-dichloroethane pyrolysis”, B.Rajakumar, K. P. J. Reddy, E. Arunan. 23rd International Symposium on Shock Waves, University of Texas at Arlington, Texas, U.S.A, 2001.

    2. “Thermal decomposition of haloethanols”; B.Rajakumar, K. P. J. Reddy, E. Arunan. 24th International Symposium on Shock Waves, Beijing, China, July 2004.

    Selected presentations:

    1. “Thermal decomposition of 2-haloethanols: a single pulse shock tube study” B.Rajakumar, K. P. J. Reddy, E. Arunan. 8th International workshop on Shock Tube Technology, Bangalore, India 11-14th September 2002.

    2. “Kinetics of the reaction of OH radical with n-propanol and iso-propanol in the temperature range of 235-375K”; B.Rajakumar, David C. McCabe, Ranajit K. Talukdar, A. R. Ravishankara, Presented in 228th ACS National Meeting, August 22-26, 2004. Philadelphia, PA, U.S.A.

    3. Temperature dependent rate coefficients for removal of OH (v=1) by acetone and benzene, David C. McCabe, B.Rajakumar, I. W. M. Smith, A. R. Ravishankara, Presented in 228th ACS National Meeting, August 22-26, 2004 Philadelphia, PA, U.S.A.

    4. “Temperature dependent Rate Coefficients for the Removal of OH (v=1) by several species. David C. McCabe, B.Rajakumar, I. W. M. Smith, A. R. Ravishankara, Presented in the 18th International Symposium on Gas Kinetics, Bristol, UK, 2004.

    5. Characterization of the visible absorption spectrum of acetyl radical, CH3CHO, using Cavity Ring Down Spectroscopy”. B.Rajakumar, T. Gierczak, J. Flad, A. R. Ravishankara, J. B. Burkholder. Presented in 19th International Symposium on Gas Kinetics, Orleans, France, July 22-27, 2006.

    Technical Reports:
    1. “Construction of Laser Schlieren facility for Chemical Kinetic Studies in a Shock Tube” K. P. J. Reddy, D. Anandraj, B.Rajakumar and E.Arunan. Research report No. 2002HTCKL1, July 2002; Department of Aerospace Engineering and Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, India.

    2. “Simulation of the Performance of the IISc Chemical Kinetics Shock Tube” David J. Mee, Peter A Jacobs, K. P. J. Reddy, B.Rajakumar and E.Arunan. Research report No. 2002HTCKL2, February 2004. Department of Mechanical Engineering, University of Queensland, Australia and, Department of Aerospace Engineering, Indian Institute of Science, Bangalore.