Arunan is an experimental physical chemist who also uses theory and modeling to improve and enhance fundamental understanding. He uses supersonic expansion to form weakly bound complexes in one laboratory and supersonic compression to break strong bonds in another laboratory, the facilities in both laboratories are home-built. He has been working on hydrogen bonding and other molecular interactions. More details can be found in his web page. Phone: +91-80-22932828 Address: D007, Inorganic and Physical Chemistry Department, Indian Institute of Science, Bangalore. 560012 INDIA
Context. Interstellar carbonaceous particles and molecules are subject to intense shocks in astro... more Context. Interstellar carbonaceous particles and molecules are subject to intense shocks in astrophysical environments. Shocks induce a rapid raise in temperature and density which strongly affects the chemical and physical properties of both the gas and solid phases of the interstellar matter. Aims. The shock-induced thermal processing of C60 particles in hydrogen has been investigated in the laboratory under controlled conditions up to 3900 K with the help of a material shock-tube. Methods. The solid residues generated by the exposure of a C60/H2 mixture to a millisecond shock wave were collected and analyzed using X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Raman micro-spectroscopy, and infrared micro-spectroscopy. The gaseous products were analyzed by Gas Chromatography and Cavity Ring Down Spectroscopy. Results. Volatile end-products appear above reflected shock gas temperatures of ~2540 K and reveal the substantial presence of small molec...
29th International Symposium on Shock Waves 1, 2015
Thermal decomposition studies of propargyl alcohol was carried out using single pulse shock tube ... more Thermal decomposition studies of propargyl alcohol was carried out using single pulse shock tube in the temperature range 1020 K - 1540 K. Acetylene, propyne, formaldehyde, propynal, propenal, carbon monoxide are the observed products of propargyl alcohol decomposition. Ab initio and density function calculations have been carried out to identify reaction paths leading to various products and also to estimate the activation barrier for comparison with experimental results.
Author Institution: Department of Inorganic and Physical Chemistry, Indian Institute of Science B... more Author Institution: Department of Inorganic and Physical Chemistry, Indian Institute of Science Bangalore, India-560012
Theoretical studies and condensed phase experimental studies point towards a pi stacked structure... more Theoretical studies and condensed phase experimental studies point towards a pi stacked structure for benzene dimer, for which experimental evidence has not been found yet. This structure has no dipole moment and hence microwave spectroscopy can not be used. Benzene and ethylene can dimerise to give pi stacked complex which will have a net dipole moment. Rotational spectroscopic technique can
Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have... more Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have been observed in the 4 to 13 GHz range using a pulsed-nozzle Fourier transform microwave spectrometer. For the parent dimer, a total of 51 transitions could be observed and fitted within experimental uncertainty. For two mono-substituted and one bi-substituted deuterium isotopologues, a total of 14, 17, and 19 transitions were observed, respectively. The observed rotational constants for the parent dimer [A = 2321.8335(4) MHz, B = 1150.4774(2) MHz, and C = 1124.8898(2) MHz] are close to those of the most stable structure predicted by ab initio calculations. Spectra of the three deuterated isotopologues and Kraitchman analysis positively confirm this structure. Geometrical parameters and "Atoms in Molecules" analysis on the observed structure reveal that the two propargyl alcohol units in the dimer are bound by three different types of hydrogen bonds: O-H⋯O, O-H⋯π, and C-H⋯π. T...
Context. Interstellar carbonaceous particles and molecules are subject to intense shocks in astro... more Context. Interstellar carbonaceous particles and molecules are subject to intense shocks in astrophysical environments. Shocks induce a rapid raise in temperature and density which strongly affects the chemical and physical properties of both the gas and solid phases of the interstellar matter. Aims. The shock-induced thermal processing of C60 particles in hydrogen has been investigated in the laboratory under controlled conditions up to 3900 K with the help of a material shock-tube. Methods. The solid residues generated by the exposure of a C60/H2 mixture to a millisecond shock wave were collected and analyzed using X-ray diffraction, scanning electron microscopy, transmission electron microscopy, Raman micro-spectroscopy, and infrared micro-spectroscopy. The gaseous products were analyzed by Gas Chromatography and Cavity Ring Down Spectroscopy. Results. Volatile end-products appear above reflected shock gas temperatures of ~2540 K and reveal the substantial presence of small molec...
29th International Symposium on Shock Waves 1, 2015
Thermal decomposition studies of propargyl alcohol was carried out using single pulse shock tube ... more Thermal decomposition studies of propargyl alcohol was carried out using single pulse shock tube in the temperature range 1020 K - 1540 K. Acetylene, propyne, formaldehyde, propynal, propenal, carbon monoxide are the observed products of propargyl alcohol decomposition. Ab initio and density function calculations have been carried out to identify reaction paths leading to various products and also to estimate the activation barrier for comparison with experimental results.
Author Institution: Department of Inorganic and Physical Chemistry, Indian Institute of Science B... more Author Institution: Department of Inorganic and Physical Chemistry, Indian Institute of Science Bangalore, India-560012
Theoretical studies and condensed phase experimental studies point towards a pi stacked structure... more Theoretical studies and condensed phase experimental studies point towards a pi stacked structure for benzene dimer, for which experimental evidence has not been found yet. This structure has no dipole moment and hence microwave spectroscopy can not be used. Benzene and ethylene can dimerise to give pi stacked complex which will have a net dipole moment. Rotational spectroscopic technique can
Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have... more Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have been observed in the 4 to 13 GHz range using a pulsed-nozzle Fourier transform microwave spectrometer. For the parent dimer, a total of 51 transitions could be observed and fitted within experimental uncertainty. For two mono-substituted and one bi-substituted deuterium isotopologues, a total of 14, 17, and 19 transitions were observed, respectively. The observed rotational constants for the parent dimer [A = 2321.8335(4) MHz, B = 1150.4774(2) MHz, and C = 1124.8898(2) MHz] are close to those of the most stable structure predicted by ab initio calculations. Spectra of the three deuterated isotopologues and Kraitchman analysis positively confirm this structure. Geometrical parameters and "Atoms in Molecules" analysis on the observed structure reveal that the two propargyl alcohol units in the dimer are bound by three different types of hydrogen bonds: O-H⋯O, O-H⋯π, and C-H⋯π. T...
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