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).
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
- Definition of the hydrogen bond.
E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta,
D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard,
A. C. Legon, B. Mennucci and D. J. Nesbitt.
Pure Appl. Chem. 83, 1637 (2011) Online Access
Indian Institute of
Bangalore 560 012, INDIA
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