ELANGANNAN ARUNAN
Professor and Chair DQ10,
Department of Inorganic and Physical Chemistry Duplex Quarters
Indian Institute of Science Indian Institute of Science
Bangalore 560 012. Bangalore 560 012
India. India.
Phone : +91-80-2293-2828 +91-80-2360-1952
Fax : +91-80-2360-1552 +91-94-4982-1952
Email: arunan@iisc.ac.in
earunan@gmail.com
Webpage: http://ipc.iisc.ac.in/arunan.php and http://earunan.org
Research Interests
Spectroscopy and Dynamics of Molecules and Clusters; Chemical Kinetics and Reaction Dynamics; Shockwave interactions with molecules and materials; Hydrogen bonding; Intermolecular bonding/interactions; Astrochemistry and astrophysics.
Courses Taught
Graduate and undergraduate courses in: Physical Chemistry, Group Theory and
Molecular Spectroscopy, Chemical kinetics and Dynamics, Classical and Statistical Thermodynamics
Education
Ph. D. in Physical Chemistry, August 1991. Advisor : Prof. D. W. Setser. Kansas State University, Manhattan, KS.
Dissertation: Applications of infrared chemiluminescence in chemical reaction
dynamics.
M. Tech. in Modern Methods of Chemical Analysis and Control, January 1986
Indian Institute of Technology, New Delhi, India.
Dissertation: Structural investigations of acrylic acid-methyl methacrylate
copolymers.
M. Sc. in Chemistry July 1984, Indian Institute of Technology, Madras, India.
Dissertation: Synthesis of p -CS2 complexes of Iron and phase transfer catalyzed reductions of nitroarenes.
B. Sc. in Chemistry June 1982, The American College, Madurai, India.
Work Experience
Chairman, Department of Inorganic and Physical Chemistry October 2018 -
Member JAM Advisory Committee of IISc from 2015
Vice-Chairman GATE/JAM, Indian Institute of Science 2013-2015
Coordinator for the Integrated Ph. D. Programme in Chemical Sciences 2010-
2014
June 2009 – Present: Professor, Inorganic and Physical Chemistry Department,
Indian Institute of Science, Bangalore, India
Jun. 2003 – May 2009: Associate Professor, Inorganic and Physical Chemistry
Department, Indian Institute of Science, Bangalore, India
Jun. 1997 – May 2003: Assistant Professor, Inorganic and Physical Chemistry
Department, Indian Institute of Science, Bangalore, India.
Nov. 1994 - May 1997: Assistant Professor at Indian Institute of Technology,
Kanpur, India.
Apr. 1992 - Oct. 1994: Research Associate with Prof. H. S. Gutowsky at
University of Illinois at Urbana-Champaign. Investigated weakly bound complexes using pulsed nozzle Fourier transform microwave spectroscopy.
Aug. 1991 – Apr. 1992. Research Associate with Prof. D. W. Setser at Kansas
State University; supervisory responsibilities between August 1991 - January 1992.
Jun. 1988 – Jul. 1991. Research Assistant. Rebuilt the infrared chemi-
luminescence laboratory at K.S.U. in a new Chemistry building. Acquired experience in vacuum techniques, glass blowing, computing and other laboratory skills needed for research in experimental physical chemistry.
Aug. 1986 - May 1988. Teaching Assistant. Involved in teaching under-
graduate physical chemistry labs and grading under-graduate physical and organic chemistry courses at Kansas State University.
Feb. 1986 – Jun. 1986. Project assistant with Prof. K. C. Patil, Inorganic and
Physical Chemistry Department, Indian Institute of Science, Bangalore, India.
Awards and Activities
Plenary Lecture at the 7th Asian Spectroscopy Conference, Singapore,
Conducted online, National Technological University, Singapore December 2020.
Alumni Award for Excellence in Research for Science for the year 2020,
awarded by the Indian Institute of Science.
Editor, Volume 100, issue 1 of the Journal of the Indian Institute of Science,
January 2020, on 100 years of hydrogen bonding.
Member of the Editorial Board for the Journal of Molecular Spectroscopy
2014-2017 and 2020-2023
National Prize for Chemical Spectroscopy and Molecular Structure, CNR
Rao Research Foundation, 2019
International Advisory Board Member for the First International
Conference on Non-Covalent Interactions, Given keynote lecture. Lisbon, Portugal September 2019.
Keynote Lecture at the European Congress on Molecular Spectroscopy
2018, August 2018, Coimbra, Portugal.
Editorial Board of the Journal of the Indian Institute of Science 2018 -
Plenary Lecture at the 22nd Horizons in Hydrogen Bond Research
Conference, September 2017, Finland
Editor of the Journal of Molecular Structure May 2016 -
Fellow of the National Academy of Sciences, India, 2015
Guest Member of the Editorial Board 67th Annual Reviews in Physical
Chemistry 2016
Fellow of the Royal Society of Chemistry 2014
Plenary Speaker at the Fourth Asian Spectroscopy Conference, Singapore
December 2013.
PRL Colloquium at Physical Research Laboratory, Ahmedabad, 27 November
2013
ASET Colloquium at Tata Institute of Fundamental Research, Mumbai, 8 Nov
2013.
Royal Society Travel Grant to visit 12 Universities in the USA and attend
Molecular Spectroscopy and Shock Wave symposium June-July 2013.
A. V. Ramarao Foundation Prize Lecture at the Jawaharlal Nehru Center for
Advanced Scientific Research, Bangalore. April 2013
Member of Science Education Panel of the Indian Academy of Sciences
2013-2018
Fellow of International Union of Pure and Applied Chemistry 2011
Plenary Lecture at the 28th International Symposium on Shock Waves,
Manchester 2011.
Member of the International Advisory Board for ‘Horizons in Hydrogen
Bond Research” Conference 2011 –
Member of the International Steering Committee for the Asian
Spectroscopy Conference 2009-2013. Continuing in the Advisory
Board Since 2013.
Fellow of the Indian Academy of Sciences, 2009
Member of the Programme Advisory Committee on Physical Chemistry,
Department of Science and Technology 2008-2012.
Member of the International Advisory Editorial Board for Physical
Chemistry Chemical Physics, Royal Society Publication, From 2005-2016.
Section Editor (Chemistry) for Current Science from 2018, Associate Editor
2013-2018 and in the editorial board since 2008
Associate Editor for Journal of Chemical Sciences from 2012-2015 in the
editorial board since 2008
Recipient of Chemical Research Society of India Bronze Medal 2008
Chairman of IUPAC Task Group on Hydrogen bonding and other molecular
interactions. Redefined hydrogen bonding in 2011.
Member of the International Advisory Board for the International
Symposium on Shockwaves from 2005.
Vice-President/Founder Member of the Indian Society for Shockwave
Research 2004.
Member of International Union of Pure and Applied Chemistry since 2004
Member of Chemical Research Society of India since inception, 1999
KSU Department of Chemistry Award for Excellence in Research, 1991.
KSU Phi Lambda Upsilon Graduate Student of the Year Award, 1989.
Member of Phi Lambda Upsilon, an Honourary Chemical Society in U.S.A.
Since 1988
Member of the American Chemical Society since 1987
Invited Talks/Seminars/Lectures
Have organized several national/international conferences/symposia in the fields of spectroscopy, hydrogen bonding and shock wave applications. Have given numerous plenary, key note and invited lectures all over India and many countries in the world including U.S.A, U.K, France, Germany, Italy, Poland, Spain, Russia, Czech Republic, Finland, Portugal, China, Taiwan, Pakistan, Bangladesh, Singapore, Australia and South Korea. Given invited talks at most of the premier institutes in India and also in small colleges and high schools all over India. Given invited lectures at Universities, including at University of California, Berkeley; Stanford University; California Institute of Technology, Rowland Institute at Harvard University; University of Colorado, Boulder; Wesleyan University; University of Connecticut; Kansas State University; National Oceanographic and Atmospheric Agency, Colorado; University of Massachusetts, Amherst; Moscow State University, Moscow; Fritz Haber Institute, Berlin; Warsaw University, Poland; Milan Technical University, Italy; University of Rennes, France; Grenoble University, France; Hebrew University at Jerusalem, Israel; Universidad del País Vasco, Spain; Czech Academy of Sciences, Prague.
Research Highlights
· Built the only pulsed nozzle Fourier transform microwave spectrometer in India and one of about 15 in the world.
· Our experimental results on weakly bound complexes of H2O/H2S eventually led to IUPAC redefining hydrogen bond through a task group formed and chaired by me.
· Microwave spectroscopic and theoretical results from our laboratory led us to define a ‘carbon bond’ analogous to hydrogen bond. This has helped the field of ‘inter-molecular bonding’ matured.
· Established shock tube facilities for chemical kinetics research in collaboration with Aerospace Engineering Department. This facility has been used to address problems of interest to ISRO and DRDO and eventually led to the formation of Center for Excellence in Hypersonic Research.
· Our research accomplishments on hydrogen bonding and carbon bonding have been featured in Science magazines and newspapers all over the world. Our laboratory is at the forefront of research in this area.
Publications in Journals
1. A. S. Brar, E. Arunan and G. S. Kapur, (1989) "Sequence determination in acrylic acid-methyl methacrylate copolymers by 13C and 1H NMR spectroscopy", Polym. J. (Tokyo) 21, 689.
2. E. Arunan, S. J. Wategaonkar and D. W. Setser, (1991) "HF/HCl vibrational and rotational distributions from three- and four-centered unimolecular elimination reactions", J. Phys. Chem. 95, 1539.
3. E. Arunan and D. W. Setser, (1991) "HCN infrared chemiluminescence from the H + ICN reaction", J. Phys. Chem. 95, 4190.
4. E. Arunan, D. W. Setser and J. F. Ogilvie (1992) "Vibration-rotational Einstein coefficients for HF/DF and HCl/DCl", J. Chem. Phys. 97, 1734.
5. E. Arunan, D. Raybone and D. W. Setser (1992) "Vibrational relaxation rate constants for HF(v=1-4) by CO, CO2 and HCN with product identification by infrared emission", , J. Chem. Phys. 97, 6348.
6. E. Arunan and H. S. Gutowsky (1993) "The rotational spectrum, structure and dynamics of a benzene dimer", J. Chem. Phys. 98, 4294.
7. E. Arunan, G. Manke II and D. W. Setser, (1993) "Infrared chemiluminescence studies of H + BrCN and H abstraction by CN reactions: importance of the HNC channel", Chem. Phys. Lett. 207, 81.
8. H. S. Gutowsky, T. Emilsson and E. Arunan. (1993) "Low J rotational spectra, internal rotation, and structures of several benzene-water dimers", J. Chem. Phys. 99, 4883.
9. E. Arunan, T. Emilsson and H. S. Gutowsky, (1993) "Rotational spectrum and structure of Ne-C6H6-H2O, an aromatic sandwich", J. Chem. Phys. 99, 6208.
10. E. Arunan, C. Liu, D. W. Setser, J. V. Gilbert and R. D. Coombe, (1994) "Infrared chemiluminescence studies of H + NFCl2 and H + NFCl reactions", J. Phys. Chem. 98, 494.
11. E. Arunan, R. Rengarajan and D. W. Setser, (1994) "Infrared chemiluminescence studies of the reactions of H atoms with CCl3, CF2Cl and CH2CH2Cl radicals at 300 and 475 K: addition-elimination vs abstraction reaction mechanisms", Can. J. Chem. (J. C. Polanyi Special Issue) 72, 568.
12. E. Arunan, T. Emilsson and H. S. Gutowsky, (1994) "Rotational spectra and structure of Rg-C6H6-H2O (Rg = Ne, Ar or Kr) trimers and Ne-C6H6 dimer", J. Chem. Phys. 101, 861.
13. E. Arunan, T. Emilsson and H. S. Gutowsky, (1994) "Rotational spectra, structure and dynamics of Arn(H2O)m clusters: Ar2-H2O, Ar-(H2O)2, Ar3-H2O and Ar-(H2O)3" J. Am. Chem. Soc. 116, 8418.
14. J. -U. Grabow, A. S. Pine, G. T. Fraser, F. J. Lovas, R. D. Suenram, T. Emilsson, E. Arunan, and H. S. Gutowsky, (1995) "Rotational spectra and van der Waals potentials of Ne-Ar", J. Chem. Phys. 102, 1181.
15. E. Arunan, T. Emilsson, and H. S. Gutowsky, (1995) "Excited n 3 vibrational state of the Ar-HCN and Kr-HCN dimers", J. Chem. Phys. 103, 493.
16. H. S. Gutowsky, E. Arunan, T. Emilsson, S. L. Tschopp, and C. E. Dysktra, (1995) "Rotational spectra and structures of the C6H6-HCN dimer and Ar3-HCN tetramer", J. Chem. Phys. 103, 3917.
17. E. Arunan, C. E. Dykstra, T. Emilsson, and H. S. Gutowsky, (1996) "Rotational spectra, structures, and dynamics of small Arm-(H2O)n clusters : the Ar2-H2O trimer", J. Chem. Phys. 105, 8495.
18. H. S. Gutowsky, T. Emilsson, and E. Arunan (1997) "Rotational spectra, structure, and internal dynamics of Ar-H2S isotopomers", , J. Chem. Phys. 106, 5309.
19. E. Arunan (1997) "The C-C bond is stronger than the C-Cl bond in CH3COCl".J. Phys. Chem. A. 101, 4838.
20. A. Srivatsava, E. Arunan, G. Manke II, D. W. Setser, and R. Sumathi, (1998) "Unimolecular reaction dynamics of CH3COCl and FCH2COCl : An infrared chemiluminescence and ab initio study", J. Phys. Chem.A. 102, 6412.
21. E. Arunan*, T. Emilsson, H. S. Gutowsky, and C. E. Dykstra (2001) “Rotational spectra and structures of the Ar3-H2O and Ar3-H2S symmetric tops”, J. Chem. Phys. 114, 1242.
22. P. K. Mandal and E. Arunan (2001) “Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen”, J. Chem. Phys. 114, 3880.
23. K. R. Shamaundar and E. Arunan (2001) “Hydrochlorofluoroamines: Ab initio and DFT studies on their unimolecular reaction pathways” J. Phys. Chem.A. 105, 8533
24. E. Arunan*, T. Emilsson, and H. S. Gutowsky, (2002) “Rotational Spectra, structures, and dynamics of small Arm-(H2O)n clusters II : the Ar-(H2O)2 trimer” J. Chem. Phys. 116, 4886.
25. S. P. Vijayalakshmi, E. Arunan*, R. Valesa and D. W. Setser. (2002) “Infrared chemiluminescence studies of the H + ICH2X and N + CH2X (X = Cl/F/I/H) reactions” Phys. Chem. Chem. Phys. 4, 51.
26. E. Arunan*, A. P. Tiwari, P. K. Mandal, and P. C. Mathias, (2002) “Pulsed nozzle Fourier transform microwave spectrometer: Ideal to define hydrogen bond radius”, Curr. Sci. 82, 533
27. B. Rajakumar, K. P. J. Reddy and E. Arunan*, (2002) “Unimolecular HCl elimination from 1,2-dichloroethane: A single pulse shock tube and ab initio study” J. Phys. Chem. A.106, 8366
28. E. Arunan*, T. Emilsson, H. S. Gutowsky, G. T. Fraser, G. de Oliviera and C. E. Dykstra (2002) “Rotational dynamics of the weakly bonded C6H6-H2S dimer and comparisons to C6H6-H2O” J. Chem. Phys. 117, 9766.
29. B. Rajakumar, D. Anandraj, K. P. J. Reddy, and E. Arunan (2002). “Chemical kinetics studies at high temperatures using shock tubes” J. Ind. Inst. Sci. 82, 37.
30. B. Rajakumar and E. Arunan (2003) “Ab initio, DFT and transition state theory calculations on HF, HCl and ClF elimination from CH2XCH2Y:X/Y=F/Cl”, Phys. Chem. Chem. Phys. 5, 3897.
31. B. Rajakumar, K. P. J. Reddy and E. Arunan, (2003) “Thermal decomposition of 2-fluoroethanol: Single pulse shock tube and ab initio studies.” J. Phys. Chem. A. 107, 9782.
32. Naba K. Karan and E. Arunan, (2004) “Chlorine bond distances in ClF and Cl2 complexes” J. Mol. Structure 688, 203)\.
33. E. Arunan, Sagarika Dev, P. K. Mandal, (2004) “Pulsed nozzle Fourier transform microwave spectrometer: Advances and applications” Appl. Spectrosc. Rev. 39, 131.
34. M. Goswami, P. K. Mandal, D. Ramdass and E. Arunan, (2004) “Rotational spectra and structure of the floppy C2H4-H2S complex: Bridging hydrogen bonding and van der Waals interactions” Chem. Phys. Lett. 393, 22.
35. B. Lakshmi, A. G. Samuelson, K. V. Jovan Jose, S. R. Gadre, and E. Arunan, (2005) “Is there a hydrogen bond radius? Evidence from microwave spectroscopy, neutron scattering and X-ray diffraction results” New. J. Chem 29, 371.
36. B. Ram Prasad, Mangala Sunder Krishnan and E. Arunan, (2005) “Rotational Spectrum of mono-substituted asymmetric C6H6-H2O dimers” J. Mol. Spectrosc. 232, 308.
37. P. K. Mandal, D. Ramdass and E. Arunan (2005) “Rotational spectra and structure of Ar2-H2S complex: PNFTMW spectroscopic and ab initio studies”. Phys. Chem. Chem. Phys. 7, 2740.
38. P. K. Mandal, Mausumi Goswami and E. Arunan (2005) “Rotational Spectra and Structure of Ar-(H2S)2 trimer: Microwave spectroscopic and ab initio investigation”, J. Ind. Inst. Sci. 85, 353.
39. E. Arunan, P. K. Mandal, M. Goswami, and B. Raghavendra, (2005) “Rotational Spectra of weakly bound H2O/H2S complexes: Hydrogen bonding vs van der Waals interactions” Proc. Ind. Nat. Sci. Acad. 71 A, 377.
40. P. K. Mandal, B. Raghavendra and E. Arunan, (2006) “Ab initio and AIM theoretical analysis of Hydrogen-Bond radius of HD(D=F,Cl,Br,CN,OH,SH and CCH) donors and some acceptors” Phys. Chem. Chem. Phys. 8, 5276-5286.
41. B. Raghavendra and E. Arunan. (2007) “Unpaired and sigma bond electrons as H, Cl and Li bond acceptors: An anomalous one-electron blue-shifting chlorine bond”, J. Phys. Chem. A 111, 9699.
42. Prasanta Das, E. Arunan and P. K. Das, (2008) “Infrared Spectra of dimethylnaphthalenes in the gas phase”, Vibrational Spectroscopy, 47, 1-9,.
43. M. Nagaboopathy, C. Vijayanand, G. Hegde, K. P. J. Reddy, and E. Arunan (2008) "Single pulse shock tube for ignition delay studies" Curr. Sci., 95, 78-82,
44. V. Kulkarni, G. M. Hegde, G. Jagadeesh, E. Arunan and K. P. J. Reddy. (2008) “Aerodynamic drag reduction by heat addition into the shock layer for a large angle blunt cone in hypersonic flow” Phys. Fluid, 20, 081703.
45. B. Raghavendra and E. Arunan (2008) “Hydrogen bonding with a hydrogen bond: The methane-water complex and the pentacoordinate carbon”, Chem. Phys. Lett. 467, 37.
46. L. Biennier, R. Georges, V. Chandrasekaran, B. Rowe, T. Bataille, V. Jayaram, K. P. J. Reddy and E. Arunan, (2009) “Characterization of circumstellar carbonaceous dust analogs produced by pyrolysis of acetylene in a porous graphite reactor” Carbon, 47, 3295.
47. M. Goswami and E. Arunan (2009) “The Hydrogen Bond: A molecular beam microwave spectroscopist’s view with a universal appeal”, Phys. Chem. Chem. Phys. 11, 8974.
48. Deepak Chopra, T. N. Guru Row, E. Arunan and R. A. Klein (2010) “Crystalline ethane-1,2-diol Does Not Have Intramolecular Hydrogen Bonding: Experimental and Theoretical Charge Density Studies”, J. Mol. Sttuct. 964, 126.
49. Prasanta Das, S. Manogaran, E. Arunan and P. K. Das (2010) “Infrared Spectra of Dimethylquinolines in the Gas Phase: Experiment and Theory”, J. Phys. Chem. A 114, 8351.
50. D. Mani, P. Aiswaryalakshmi and E. Arunan (2010) “Measuring rotational constant of a molecule without dipole moment and confirming low frequency vibrations using microwave spectroscopy” Asian J. Spectrosc. Special issue, 31. Invited article for an issue honoring Dr. K. P Nair, a microwave spectroscopist from Kerala.
51. M. Goswami and E. Arunan, (2011) “Microwave Spectrum and Structure of C6H5CCH---H2S complex”, J. Mol. Spectrosc. 268, 147.
52. 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 (2011) “Defining the hydrogen bond: An Account” Pure Appl. Chem. 83, 1619.
53. 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 (2011) “Definition of the hydrogen bond” Pure Appl. Chem. 83, 1637.
54. M. Goswami and E. Arunan (2011) “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.
55. V. Chandrasekaran, L. Biennier, E. Arunan, D. Talbi and R. Georges, (2011) “Direct Infrared Absorption Spectroscopy of Benzene Dimer”, J. Phys. Chem. A 115, 11263.
56. P. Das. E. Arunan, and P. K. Das, (2012) “Infrared Spectra of Dimethyl-phenanthrenes in the Gas phase”, J. Phys. Chem. A 116, 5769.
57. D. Mani, V. T. Bhat, K. J. Vinoy and E. Arunan (2012) “Towards the broadband microwave spectrometer”, Ind. J. Phys. 86, 225 (Invited article for an issue honoring Prof. Mihir Chowdhuri)
58. D. Koley, E. Arunan and S. Ramakrishnan, (2012) "Computational investigations on covalent dimerization/oligomerization of polyacenes: Is it relevant to soot formation?" J. Comput.l Chem. 33, 1762.
59. A. Gardez, G. Saidani, L. Biennier, R. Georges, E. Hugo, V. Chandrasekaran, V. Roussel, B. Rowe, K. P. J. Reddy, and E. Arunan, (2012) "High-temperature kinetics of the reactions between CN and hydrocarbons using a novel high enthalpy flow tube" Int. J. Chem. Kinetics 44, 753.
60. D. Mani and E. Arunan, (2013) "Microwave Spectroscopic and Atoms in Molecules Theoretical Investigations on the Ar⋅⋅⋅Propargyl Alcohol Complex: Ar⋅⋅⋅H - O, Ar⋅⋅⋅π, and Ar⋅⋅⋅C Interactions" ChemPhysChem 14, 754.
61. R. Parajuli and E. Arunan, (2013) "Comprehensive Investigations on DNa⋅⋅⋅A (D=H/F) Complexes Show Why 'Sodium Bonding' is not Commonly Observed" Chem. Phys. Lett. 568-569, 63.
62. N. K. Reddy, V. Jayaram, E. Arunan, Y. B. Kwon, W. J. Moon, and K. P. J. Reddy (2013) "Investigations on high enthalpy shock wave exposed graphitic carbon nanoparticles" Diamond and Related Materials, 35, 53.
63. P. Aiswaryalakshmi, Devendra Mani, and E. Arunan (2013) "Fe as hydrogen/halogen bond acceptor in square pyramidal Fe(CO)5" Inorg. Chem., 52, 9153.
64. D. Mani and E. Arunan, (2013) "The X-C---Y (X = O/F, Y = O, S, F, Cl, Br, N, P,) Carbon bond and hydrophobic interactions" Phys. Chem. Chem. Phys. 15, 14377.
65. S. K. Reshmi, K. P. Vijayalakshmi, D. Thomas, E. Arunan and C. P. R. Nair (2013) "Glycidyl azide polymer crosslinked through triazoles by click chemistry: curing, mechanical and thermal properties." Propellants, Explosives, Pyrotechniques 38, 525.
66. M. Goswami, J. L. Neill, M. Muckle, B. H. Pate, and E. Arunan (2013) "Microwave, infrared-microwave double resonance, and theoretical studies of C2H4⋅⋅⋅H2S complex" J. Chem. Phys. 139, 104303.
67. A. Shahi and E. Arunan, (2014) “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” Phys. Chem. Chem. Phys. 16, 22935-22952. (Perspective article featured in back-cover and highlighted).
68. N. Sharath, K. P. J. Reddy and E. Arunan (2014) “Thermal Decomposition of Propargyl Alcohol: Single Pulse Shock Tube Experimental and ab initio Theoretical Study” J. Phys. Chem. A. 118, 5927-5938.
69. S. Reshmi, C. P. Reghunadhan Nair, E. Arunan (2014) “Azide and Alkyne Terminated Polybutadiene Binders: Synthesis, Crosslinking and Propellant Studies” J. Ind. Eng. Chem. 53, 16612-16620.
70. D. Mani and E. Arunan (2014) “Rotational Spectra of Propargyl Alcohol Dimer: A Dimer Bound with Three Different Types of Hydrogen Bonds” J. Chem. Phys. 141, 164311.
71. D. Mani and E. Arunan (2014) “The X-C⋅⋅⋅π (X=F, Cl, Br, CN) Carbon Bond” J. Phys. Chem. A 118, 10081-10089.
72. D. Mani and E. Arunan (2015) “Dynamics of a chemical bond: inter and intra-molecular hydrogen bonding” Faraday Discussions 177, 51-64.
73. Govinda P. Khanal, R. Parajuli, E. Arunan, Shinichi Yamabe, Kenzo Hiraoka, Eiko Torikai (2015) “Study of structures, energies and vibrational frequencies of (O2)n+ (n=2-5) clusters by GGA and meta-GGA density functional methods” Comp. Theor. Chem.1056, 24-36.
74. Lakshmipriya Anamalagundam , Sachin Rama Chaudhari , Abhishek Shahi , E Arunan and Suryaprakash Nagaraja Rao (2015) “Three Centered Hydrogen Bond of the type C=O···H(N)···X-C in diphenyloxalmide derivatives involving halogens and a rotating CF3 group: NMR, QTAIM, NCI and NBO Studies” Phys. Chem. Chem. Phys. 17, 7528-7536.
75. N. Sharath, P. K. Bharai, K. P. J. Reddy and E. Arunan (2015) “Ignition delay of 3-carene: Single Pulse Shock Tube Study”, Curr. Sci. 108, 2083-2087.
76. R. Parajuli and E. Arunan (2015) “X-H⋅⋅⋅C hydrogen bonds in n-alkane-HX (X = F, OH) complexes are stronger than C-H⋅⋅⋅X hydrogen bonds” J. Chem. Sci. 127, 1035-1045.
77. S. K. Pandey, Prasanta Das, P. K. Das, E. Arunan* and S. Manogaran* (2015) “Intramolecular Hydrogen Bond: Can it be Part of the Basis Set of Valence Internal Coordinates in Normal Mode Analysis?” J. Chem. Sci. 127, 1127-1134.
78. Prasanta Das, P. K. Das and E. Arunan (2015) “Conformational Stability and Intramolecular Hydrogen Bonding in 1,2-Ethanediol and 1,4-Butanediol” J. Phys. Chem. A 119, 3710-3720.
79. Abhishek Shahi and E. Arunan (2015) “Microwave Spectrum of Hexafluoro-isopropanol and Torsional Behavior of Molecules with a CF3-C-CF3 Group” J. Phys. Chem. A 119, 5650-5657.
80. S. Reshmi, K. P. Vijayalakshmi, R. Sadhana, B. K. George, E. Arunan, C. P. Reghunadhan Nair (2015) “Inter molecular azide-diisocyanate coupling: new insights for energetic solid propellants” RSC Advances 5, 50478-50482.
81. Abhishek Shahi and E. Arunan (2015) “Microwave Spectroscopic and Theoretical Investigations of the Strongly Hydrogen Bonded Hexafluoroisopropanol-Water Complex” Phys. Chem. Chem. Phys. 17, 24774-24782.
82. N. Sharath, H. K. Chakravarty, K. P. J. Reddy, P. K. Bharai and E.Arunan (2015) “Pyrolysis of 3-carene: Experiment, theory and modeling” J. Chem. Sci. 127, 2119-2135.
83. David Cappelletti, Alessio Bartocci, Federica Frati, Luiz Rocaratti, Leonardo Belpassi, Francesco Tarantelli, P Aiswaryalakshmi, E Arunan and Fernando Pirani (2015) “H2O-CH4 and H2S-CH4 complexes: A direct comparison between molecular beam experiments and ab initio calculations” Phys. Chem.Chem. Phys. 17, 30613-30623.
84. M. Kiran Singh, B. Rajakumar and E. Arunan (2016) “Measuring temperature of the reflected shock wave using a standard chemical reaction” J. Ind. Inst. Sci. 96, 53-62.
85. A. Shahi and E. Arunan, (2016) “Why are hydrogen bonds directional” J. Chem. Sci. 128, 1571-1577.
86. E. E. Etim and E. Arunan (2016) “Interstellar Isomeric Species: Energy Stability and Abundance Principle” Eur. Phys. J. Plus, 131, 448 (10 pages).
87. E. E. Etim, P. Gorai, A. Das, S. K. Chakrabarti, and E. Arunan (2016) “Systematic Theoretical Study on the Interstellar Carbon Chain Molecules” Astrophys. J. 832, 144 (14 pages).
88. L. Biennier, V. Jayaram, N. Suas-David, R. Georges, M. Kiran Singh, E. Arunan, S. Kassi, E. Dartois and K.P.J. Reddy (2017) “Shock wave processing of C60 in hydrogen” Astronomy and Astrophysics. 599, A42 (14 pages).
89. E. E. Etim and E. Arunan (2017) “Partition function and astronomical observation of interstellar isomers: Is there a link?” Adv. Space Res. 59, 1161-1171.
90. E. E. Etim and E. Arunan (2017) “Accurate rotational constants for linear interstellar carbon chains: Achieving experimental accuracy” Astrophys. Space Sci. 362: 4 (25 pages).
91. E. E. Etim, P. Gorai, A. Das and E. Arunan (2017) “C5H9N isomers: Pointers to possible branched chain interstellar molecules” Eur. Phys. J. D 71: 86 (10 pages)
92. E. E. Etim, P. Gorai, A. Das and E. Arunan (2017) “Interstellar Protonated Molecular Species” Adv. Space Res. https://doi.org/10.1016/j.asr.2017.04.003
93. E. E. Etim, P. Gorai, A. Das and E. Arunan (2018) “Theoretical investigation of interstellar C-C-O and C-O-C bonding backbone molecules” Astrophysics and. Space Science 363, 6 (2018) Online access: DOI: 10.1007/s10509-017-3226-5.
94. P. M. Singh, H. K. Chakravarty, S. K. Jain, A. Pathak, M. K. Singh and E. Arunan (2018) “Theoretical investigation of reaction kinetics and thermodynamics of the keto-enol tautomerism of 1, 3, 5-triazin-2, 4(1H, 3H)-dione and its substituted systems utilizing density functional theory and transition state theory methods” Computational and Theoretical Chemistry 1141, 15-40.
95. E. E. Etim, P. Gorai, A. Das, S. K. Chakrabarti, and E. Arunan (2018) “Interstellar Hydrogen Bonding” Adv. Space Res 61, 2870-2880.
96. A. Das, P. K. Mandal, F. J. Lovas, C. Medcraft, N. R. Walker and E. Arunan (2018) “The H2S Dimer is Hydrogen Bonded: Direct Confirmation from Microwave Spectroscopy” Angew. Chem. Int. Ed. Engl. 57, 15199.
97. S. P. Gnanasekar and E. Arunan (2019) “Inter/intramolecular Bonds in TH5+ (T = C/Si/Ge): H2 as Tetrel Bond Acceptor and the Uniqueness of Carbon Bonds” (Chosen as a cover article) J. Phys. Chem. A, 123, 1168-1176.
98. S. P. Gnanasekar and E. Arunan (2019) “Reply to Comments on 'Inter/Intramolecular Bonds in TH5+ (T = C/Si/Ge): H2 as Tetrel Bond Acceptor and the Uniqueness of Carbon Bonds” J. Phys. Chem. A, 123, 9244-9245.
99. Anthony C. Legon, David G. Lister, John H. Holloway, Devendra Mani and Elangannan Arunan (2019) “Isolation of a Halogen-Bonded Complex Formed between Methane and Chlorine Monofluoride and Characterisation by Rotational Spectroscopy and Ab Initio Calculations” Molecules 24(23), 4257 (14 pages).
100. A. Das and E. Arunan, (2019) “Chemical bonding in Period 2 homonuclear diatomic molecules: a comprehensive relook”, J Chem Sci 131, 120.
101. E. Arunan (2020) “One Hundred Years After the Latimer and Rodebush Paper, Hydrogen Bonding Remains an Elephant!” J. Ind. Inst. Sci. 100, 249-255.
102. S. P. Gnanasekar and E. Arunan (2020) “A Detailed Classification of three-centre-two-electron Bonds”, Australian Journal of Chemistry, 73(8) 766-774.
103. P. Halder, M.S. Krishnan and E. Arunan (2020) “Coriolis Interactions in benzene-water and related molecular complexes” J. Mol. Spectrosc. 370, 111277.
104. S. Awasthi, S.K. Pandey, E. Arunan and C. Srivastava (2020) “A review on hydroxyapatite coatings for the biomedical applications: experimental and theoretical perspectives” J Mater Chem B, DOI: /10.1039/D0TB02407D
Publications in the proceedings of International Symposium on Shockwaves
105. B. Rajakumar, E. Arunan and K. P. J. Reddy “Single pulse shock-tube studies on 1,2-dichloroethane pyrolysis”, Proceedings from the 23rd International Symposium on Shockwaves, Texas USA (2001).
106. B. Rajakumar, K. P. J. Reddy and E. Arunan (2004) “Thermal decomposition of haloethanols: Single pulse shock tube and ab initio studies”, Proceedings from the 24th International Symposium on Shockwaves; Paper 1261, Ed. J. Ziang, Beijing. China
107. G. Hegde, Amit Pathak, G.
Jagadessh, C. Oommen, E. Arunan and K. P. J. Reddy. (2007). “Spectroscopic
and chemical kinetics studies of microexplosion”
Proceedings of the 26th International Symposium on Shockwaves, Ed.: K.
Hannerman, Gottingen, Germany.
108. M. Nagaboopathy, G. Hegde, K. P. J. Reddy, V. Chandrasekhar, D. S. S. Hembram, D. Bilehal and E. Arunan (2007) Ignition delay studies on hydrocarbon fuels with and without additives.. Proceedings of the 26th International Symposium on Shockwaves, Ed.: K. Hannerman, Gottingen. Germany
109. H. K. Chakravarhy, K. P. J. Reddy and E. Arunan, (2009) "Thermal decomposition of 2-chloroethanol: Single pulse shock tube and ab initio studies" Proceedings of the 27th International Symposium on Shockwaves, Ed.: I. Krassovskaya.St. Petersberg, Russia
110. H. K. Chakravarty, K. P. J. Reddy and E. Arunan (2011) "Thermal decomposition of 2-bromoethanol: Single pulse shock tube experiments, modeling, DFT and TST calculations" Proceedings of the 28th International Symposium on Shockwaves Paper no 2487. Ed. K. Kontis, Manchester. UK
111. N. Sharath, K. P. J. Reddy and E. Arunan, (2011) "Oxidation of 3-carene at high temperatures" Proceedings of the 28th International Symposium on Shockwaves Paper no 2623. Ed. K. Kontis, Manchester. UK
112. E. Arunan (2011) Plenary Lecture "Getting fundamental molecular properties from shock tubes" Proceedings of the 27th International Symposium on ShockwavesPaper no 3002 Ed. K. Kontis, Manchester, UK
113. N. Sharath, K. P. J. Reddy and E. Arunan, (2013) "Thermal decomposition of 3-carene" Proceedings of the 29th International Symposium on Shockwaves Paper no 0246-000189. Ed. R. Bonazza, Madison, Wisconsin, USA.
114. N. Sharath, K. P. J. Reddy and E. Arunan, (2013) "Experimental investigations on propargyl alcohol decomposition" Proceedings of the 29th International Symposium on Shockwaves Paper no 0246-000190. Ed. R. Bonazza, Madison, Wisconsin, USA.
115. M. Kiran Singh, K. P. J. Reddy and E. Arunan (2013) "Shock tube studies on thermal decomposition of 2-chloroethylbenzene" Proceedings of the 29th International Symposium on Shockwaves Paper no.0246-000205 Ed. R. Bonazza
116. M. Kiran Singh, K. P. J. Reddy and E. Arunan (2015) “Shock tube experimental and theoretical study on the thermal decomposition of 2-Phenylethanol” Paper No 333 presented at the 30th International Symposium on Shockwaves , Tel Aviv.
117. Kunal Dhoke, K. P. J. Reddy and E. Arunan (2015) “Shock tube ignition delay studies on dicyclopentadiene” Paper No 535 presented at the 30th International Symposium on Shockwaves , Tel Aviv.
118. N. Sharath, K. P. J. Reddy, P. K. Bharai and E. Arunan (2015) “3-carene oxidation mechanism” Paper No 525 presented at the 30th International Symposium on Shockwaves , Tel Aviv.
Publications in current science that include reviews, research news and opinions.
119. E. Arunan (1999) “Research News: Hydrogen bonding: A fascination forever!”, Curr. Sci. 77, 1233
120. E. Arunan (2000) "Review of Chemistry of the Atmosphere by P. S. Sindhu" Curr. Sci. 78, 202
121. E. Arunan (2000) "Herbert Sander Gutowsky: An obituary" Curr. Sci. 78, 749.
122. E. Arunan (2000) "Review of Introduction to Atmospheric Chemistry by D. J. Jacob" Curr. Sci. 79, 1392.
123. E. Arunan (2007) "Meeting Report: Hydrogen bonding and other molecular interactions" Curr. Sci. 92, 17.
124. E. Arunan (2010) "Opinion: Scientometrics, Wisden, Science, Cricket and Leadership in India, Curr. Sci. 98, 993.
125. E. Arunan (2010) "Research News: Defining hydrogen bond through IUPAC" Curr. Sci. 99, 1493.
126. E. Arunan (2011) "Opinion: Indian Science: Catch up with India, then worry about China" Curr. Sci. 100, 21.
127. E. Arunan (2011) "Meeting report: Molecular interactions" Curr. Sci. 100, 284.
128. E. Arunan (2011) "Review of the Annual Reviews of Physical Chemistry" Curr. Sci. 102, 501.
129. E. Arunan (2013) "Opinion: Is Indian science too theoretical?" Curr. Sci. 105, 15.
130. E. Arunan (2013) "Research news: Hydrogen bond seen, halogen bond defined and carbon bond proposed: Intermolecular bonding, a field that is maturing" Curr. Sci. 105, 895.
131. E. Arunan (2014) “The myth of falling standards: A life-long counter experience” 107, 555-556.
132. E. Arunan (2015) “What can scientists, science administrators do for ‘Make in India’” 109, 1519-1520.
133. E. Arunan (2017) “Borders in Science and Nation are artificial: Should we have borders within India?” 112, 435-436.
134. E. Arunan (2018) “Is Indian Science Ready to Tackle Conflict of Interest” 114, 1385-1386.
135. E. Arunan (2019) “Foreword: Special Section on the International Year of Periodic Table”, 117, 1962.
Publications in Resonance: Journal of Education.
136. E. Arunan (2002) "Autocatalysis: Response to a question" July issue. page 76.
137. E. Arunan (2009) "Molecule Matters: van der Waals molecules 1. History and some perspectives" April issue page 349.
138. E. Arunan (2009) "Molecule Matters: van der Waals molecules 2. Noble gas clusters are London molecules" December issue, page 1210.
139. E. Arunan (2010) "van der Waals" July issue, page 584.
140. E. Arunan (2010) "Molecule Matters: van der Waals molecules 3. Rg---HF complexes are Debye molecules" July issue page 667.
141. E. Arunan (2010) "Peter Debye" December issue, page 1056.
142. C. Williams, R. N. Zare* and E. Arunan* (2014) “Do identical polar molecules form stacked or linear dimers” 19, 704-712.
Other articles
143. E. Arunan, R. Brakaspathy, G. R. Desiraju and S. Sivaram, (2013) "Chemistry in India: Unlocking the potential" Angew. Chem. Int. Ed. Engl. 52, 114.
144. Mangala Sunder Krishnan, R. Brakaspathy and E. Arunan (2016) “Chemical Education in India: Challenges and Opportunities” J. Chem. Edn. 93, 1731-1736.
145. E. Arunan, E. D. Jemmis, and V. Subramanian (2016) “Editorial: 100 Years of Lewis Chemical Bond” J. Chem. Sci. 128, 1517-1518.
146. E. Arunan (2020) “Volume 100 of the Journal of the Indian Institute of Science and 100 Years of the Latimer and Rodebush Paper on Hydrogen Bonding” J. Ind. Inst. Sci. 100, 3-4.
Book Chapter
147. D. Mani and E. Arunan, (2015) “The X-C•••Y Carbon Bond” in Non Covalent Forces Ed. By S. Scheiner, Springer Publications.
148. Sharon Priya Gnanasekar and E. Arunan (2018) “Molecular Beam and Spectroscopic Techniques: Towards Fundamental Understanding of Intermolecular Interactions” in Intermolecular interactions in Crystals. Ed. By Juan Novoa, Royal Society of Chemistry Book.