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Department of
Inorganic and Physical Chemistry

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PCCP Perspective: Intermolecular bonding
Faraday Discussion: Dynamics of a chemical bond
IUPAC Project on Hydrogen Bonding

Spectroscopy, Structure and Dynamics

Our research efforts have been in the areas of Molecular and van der Waals Spectroscopy, Chemical Kinetics and Reaction Dynamics. Our main emphasis is on experimental work, though theoretical work to support and enhance our understanding is carried out as well.

We have built the first Pulsed Nozzle Fourier Transform Microwave Spectrometer in India. This is being used to study the rotational spectra of weakly bound complexes formed in a supersonic expansion. This will lead to accurate structural information that is essential in developing intermolecular potentials. Understanding intermolecular interactions is the primary goal of these studies.

Shock tube studies are being carried out, in collaboration with Aerospace Engineering Department, on the kinetics of unimolecular and bimolecular chemical reactions. Results from this work will be useful in modeling atmospheric chemistry and combustion. Also, the experimental results will be used to test and develop theories of chemical reactions. For more information, please visit the website of the Laboratory for Hypersonic and Shockwave Research (LHSR).

Representative Publications

  • Dynamics of a chemical bond: inter and intra-molecular hydrogen bonding
    E. Arunan and D. Mani
    Faraday Discuss. 177, 51-64 (2015) Online Access DOI: 10.1039/C4FD00167B

  • Rotational Spectra of Propargyl Alcohol Dimer: A Dimer Bound with Three Different Types of Hydrogen Bonds
    D. Mani and E. Arunan
    J. Chem. Phys. 141, 164311 (2014) Online Access DOI: 10.1063/1.4898378

  • The X-C⋅⋅⋅Y (X = O/F, Y = O, S, F, Cl, Br, N, P,) Carbon bond and hydrophobic interactions
    D. Mani and E. Arunan
    Phys. Chem. Chem. Phys. 15, 14377-14383 (2013) Online Access DOI: 10.1039/C3CP51658J

  • Hydrogen bonding, halogen bonding and lithium bonding: An atoms in molecule and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding
    A. Shahi and E. Arunan
    Phys. Chem. Chem. Phys. 16, 22935-22952 (2014) Online Access DOI: 10.1039/C4CP02585G

  • Thermal Decomposition of Propargyl Alcohol: Single Pulse Shock Tube Experimental and ab initio Theoretical Study
    N. Sharath, K. P. J. Reddy and E. Arunan
    J. Phys. Chem. A. 118, 5927-5938 (2014) Online Access DOI: 10.1021/jp505145j

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E. Arunan

IPC Department
Indian Institute of Science
Bangalore 560 012, INDIA
email :

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