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IUPAC recommendation on hydrogen bonding

IUPAC Project on Hydrogen Bonding

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.

Discussion Meeting on Molecular Interactions

Representative Publications

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, "Definition of the hydrogen bond", Pure Appl. Chem. 83, 1637 (2011)

M. Goswami and E. Arunan, "Microwave Spectroscopic and Theoretical Studies on Phenylacetylene···H2O Complex: CH---O and OH---p Hydrogen Bonds as Equal Partners", Phys. Chem. Chem. Phys. 13, 14153 (2011)

Deepak Chopra, T. N. Guru Row, E. Arunan and R. A. Klein, "Crystalline ethane-1,2-diol Does Not Have Intramolecular Hydrogen Bonding: Experimental and Theoretical Charge Density Studies", J. Mol. Struct. 964, 126-133 (2010).

Ludovic Biennier, Robert Georges, Vijayanand Chandrasekaran, Bertrand Rowe, Thierry Bataille, V. Jayaram, K. P. J. Reddy and E. Arunan, "Characterization of Circumstellar Carbonaceous Dust Analogues Produced by Pyrolysis of Acetylene in a Porous Graphite Reactor", Carbon. 47, 3295 (2009).

M. Goswami, E. Arunan, "The Hydrogen Bond: A Molecular Beam Microwave Spectroscopist's View with a Universal Appeal",
Phys. Chem. Chem. Phys. 11, 8974 (2009).