मालवीय राष्ट्रीय प्रौद्योगिकी संस्थान जयपुर (राष्ट्रीय महत्व का संस्थान)
Malaviya National Institute of Technology Jaipur (An Institute of National Importance)
Department of Chemistry
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35

Journal Publications

2

Research Projects

4

PhD Research Supervised

Qualifications
  • Ph.D.(Chemistry) from Indian Association for the Cultivation of Science(2013)
    M.Sc.(Chemistry) from IIT Kanpur(2005)
    B.Sc.(Chemistry) from University of Calcutta(2003)
Research Interests

Atmospheric Chemistry, Hydrogen Bonding, Tautomerization, H Atom Transfer Reactions, Electronic Structure Calculation, Vibrational Spectroscopy, Computational Chemistry.

Brief Research Profile

Our research group is mainly focused in combined experimental and computational investigation of various atmospheric and astrochemical systems at the molecular level. We employ matrix isolation IR spectroscopy to experimentally observe the spectral shifts in vibrational transitions of the species due to complex formation at cryogenic temperatures (7 K). This is done to freeze the molecular motions which hinders formation of very weakly bound complexes at ambient thermal conditions and results in spectral broadening. Quantum chemical calculations are carried out to corroborate the experimental findings.

Professional Background
  • Associate Professor at MNIT Jaipur [15 December 2023 - Present].
    Assistant Professor at MNIT Jaipur [01 June 2015 - 14 December 2023].
    Assistant Professor at Institute of Engineering and Management [01 February 2013 - 30 April 2015].

  • Chemical Dynamics and Surface Chemistry
  • Chemistry
  • Classical and Statistical Thermodynamics
  • Environmental Chemistry
  • Mathematics for Chemists
  • Molecular Spectroscopy
  • Quantum Chemistry
  • Solid State Chemistry

    2023
  • Binod Kumar Oram, Monu and Biman Bandyopadhyay, "Structure, energetics and vibrational spectra of small (CO)n clusters (n = 2-6): A quantum chemical investigation" , Computational and Theoretical Chemistry (Elsevier) Volume :1228 / 114263 / 2023 DOI: https://doi.org/10.1016/j.comptc.2023.114263
  • Monu, Binod K Oram and Biman Bandyopadhyay, "Cumulative impact of classical, weak and sulfur-centered H-bonds on structure and energetic: Homodimers of formic acid and its thio derivatives" , Computational and Theoretical Chemistry (Elsevier) Volume :1225 / 114133 / 2023 DOI: https://doi.org/10.1016/j.comptc.2023.114133
    • 2022
  • Monu, Binod K Oram and Biman Bandyopadhyay, "Bridging H2O and H2S homomeric clusters via H2O-H2S mixed clusters: Impact of the changing ratio of H2O and H2S moieties" , Computational and Theoretical Chemistry (Elsevier) Volume :1213 / 113740 / 2022 DOI: https://doi.org/10.1016/j.comptc.2022.113740
  • Binod Kumar Oram, Saptarshi Sarkar, Monu and Biman Bandyopadhyay, "A comparative study of the potential energy surfaces of (CO)2, CO-CS and (CS)2" , Computational and Theoretical Chemistry (Elsevier) Volume :1215 / 113849 / 2022 DOI: https://doi.org/10.1016/j.comptc.2022.113849
    • 2021
  • Pujarini Banerjee, Prasenjit Pandey and Biman Bandyopadhyay, "C−H⋯O H-bond mediated tautomerization of 2-methyl-1, 3-cyclohexanedione: A combined IR spectroscopic and theoretical study" , Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Elsevier) Volume :253 / 119550 / 2021
  • Saptarshi Sarkar and Biman Bandyopadhyay, "Theoretical investigation of the relative impacts of water and ammonia on the tropospheric conversion of N2O5 to HNO3" , Physical Chemistry Chemical Physics (Royal Society of Chemistry) Volume :23 / 6651 / 2021 DOI: https://doi.org/10.1039/D0CP05553K
  • Monu, Binod K Oram and Biman Bandyopadhyay, "Simultaneous exhibition of positive and negative cooperativity by purely C−H⋯O H-bonded (1,3-cyclohexanedione)n (n = 2–6) clusters: A density functional theoretical investigation" , International Journal of Quantum Chemistry (Wiley) Volume :121 / 26581 / 2021
  • Monu, Binod K Oram and Biman Bandyopadhyay, "A unified cost-effective method for the construction of reliable potential energy surfaces for H2S and H2O clusters" , Physical Chemistry Chemical Physics (Royal Society of Chemistry) Volume :23 / 18044 / 2021
    • 2020
  • Saptarshi Sarkar and Biman Bandyopadhyay, "Reaction between N2O5 and NH3 under Tropospheric Conditions: A Quantum Chemical and Chemical Kinetic Investigation" , The Journal of Physical Chemistry A (ACS) Volume :124 / 3546 / 2020
  • Saptarshi Sarkar and Biman Bandyopadhyay, "Singlet (1Δg) O2 as an Efficient Tropospheric Oxidizing Agent: Gas Phase Reaction with Simplest Criegee Intermediate" , Physical Chemistry Chemical Physics (RSC) Volume :22 / 19870 / 2020
  • Binod Kumar Oram, Monu and Biman Bandyopadhyay, "Impact of donor acidity and acceptor anharmonicity on νC=O spectral shifts in OH···O=C H-bonded ketone-alcohol complexes: An IR spectroscopic investigation" , Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Elsevier) Volume :230 / 118070 / 2020
    • 2019
  • Pujarini Banerjee, Prasenjit Pandey and Biman Bandyopadhyay, "Stereo-preference of camphor for H-bonding with phenol, methanol and chloroform: A combined matrix isolation IR spectroscopic and quantum chemical investigation" , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (Elsevier) Volume :209 / 186 / 2019
  • Saptarshi Sarkar, Binod Kumar Oram and Biman Bandyopadhyay, "Influence of Ammonia and Water on the Fate of Sulfur Trioxide in the Troposphere: Theoretical Investigation of Sulfamic Acid and Sulfuric Acid Formation Pathways" , The Journal of Physical Chemistry A (Americal Chemical Society) Volume :123 / 3131 / 2019
  • Saptarshi Sarkar, Monu and Biman Bandyopadhyay, "Aldehyde as a potential source of aminol in troposphere: Influence of water and formic acid catalysis on ammonolysis of formaldehyde" , Atmospheric Environment (Elsevier) Volume :213 / 223 / 2019
  • Saptarshi Sarkar, Binod Kumar Oram and Biman Bandyopadhyay, "Ammonolysis as an important loss process of acetaldehyde in the troposphere: energetics and kinetics of water and formic acid catalyzed reactions" , Phys. Chem. Chem. Phys. (RSC) Volume :21 / 16170 / 2019
  • Saptarshi Sarkar, Monu and Biman Bandyopadhyay, "Cooperative nature of the sulfur centered hydrogen bond: investigation of (H2S) n (n= 2–4) clusters using an affordable yet accurate level of theory" , Phys. Chem. Chem. Phys. (RSC) Volume :21 / 25439 / 2019
    • 2018
  • Saptarshi Sarkar, Subhasish Mallick, Pradeep Kumar and Biman Bandyopadhyay, "Ammonolysis of ketene as a potential source of acetamide in troposphere: A quantum chemical investigation" , Physical Chemistry Chemical Physics (Royal Society of Chemistry) Volume :20 / 13437 / 2018
  • Subhasish Mallick, Saptarshi Sarkar, Biman Bandyopadhyay and Pradeep Kumar, "Effect of Ammonia and Formic Acid on the OH• + HCl Reaction in the Troposphere: Competition between Single and Double Hydrogen Atom Transfer Pathways" , The Journal of Physical Chemistry A (American Chemical Society) Volume :122 / 350 / 2018
  • Subhasish Mallick, Saptarshi Sarkar, Biman Bandyopadhyay and Pradeep Kumar, "Effect of Ammonia-Water Complex on Decomposition of Carbonic Acid in Troposphere: A Quantum Chemical Investigation" , Computational and Theoretical Chemistry (Elsevier) Volume :1132 / 50 / 2018
    • 2017
  • Amit K Samanta, Pujarini Banerjee, Biman Bandyopadhyay, Prasenjit Pandey, Tapas Chakraborty, "Antagonistic Interplay Between an Intermolecular CH···O and an Intramolecular OH···O Hydrogen Bond in a 1:1 Complex Between 1,2-Cyclohexanedione and Chloroform: A Combined Matrix Isolation Infra" , The Journal of Physical Chemistry A (ACS) Volume :121 / 6012 / 2017
  • Saptarshi Sarkar, Subhasish Mallick, Deepak, Pradeep Kumar, Biman Bandyopadhyay, "Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts" , Physical Chemistry Chemical Physics Volume (Royal Society of Chemistry) Volume :19 / 27848 / 2017
  • Biman Bandyopadhyay, Pradeep Kumar, Partha Biswas, "Ammonia Catalyzed Formation of Sulfuric Acid in Troposphere: The Curious Case of a Base Promoting Acid Rain" , The Journal of Physical Chemistry A (ACS) Volume :121 / 3101 / 2017
    • 2016
  • Biman Bandyopadhyay, Partha Biswas and Pradeep Kumar, "Ammonia as an efficient catalyst for decomposition of carbonic acid: a quantum chemical investigation" , Physical Chemistry Chemical Physics (Royal Society of Chemistry) Volume :18 / 15995 / 2016
  • Pradeep Kumar, Partha Biswas and Biman Bandyopadhyay, " Isomerization of the methoxy radical revisited: the impact of water dimers" , Physical Chemistry Chemical Physics (Royal Society of Chemistry) Volume :18 / 27728 / 2016
    • 2015
  • Biman Bandyopadhyay and Partha Biswas, "External control over tautomeric distribution and inter-conversion: new insights into the realm of catalyzed tautomerization" , RSC Advances (Royal Society of Chemistry) Volume :5 / 34588 / 2015
    • 2014
  • Anamika Khaskel, Prasanta Gogoi, Pranjit Barman and Biman Bandyopadhyay, "Grindstone chemistry: a highly efficient and green method for synthesis of 3,4-dihydropyrimidin-2-(1H)-ones by L-tyrosine as an organocatalyst: a combined experimental and DFT study" , RSC advances (Royal Society of Chemistry) Volume :4 / 35559 / 2014
    • 2012
  • Moitrayee Mukherjee, Biman Bandyopadhyay, Partha Biswas and Tapas Chakraborty, "Amine inversion effects on the IR spectra of aniline in the gas phase and cold inert gas matrixes" , Indian Journal of Physics (Springer) Volume :86 / 201 / 2012
  • Biman Bandyopadhyay, Prasenjit Pandey, Pujarini Banerjee, Amit K. Samanta and Tapas Chakraborty, "CH··· O interaction lowers hydrogen transfer barrier to keto–enol tautomerization of β-cyclohexanedione: Combined infrared spectroscopic and electronic structure calculation study" , The Journal of Physical Chemistry A (American Chemical Society) Volume :116 / 3836 / 2012
  • Moitrayee Mukherjee, Biman Bandyopadhyay and Tapas Chakraborty, "Ultraviolet and infrared spectroscopy of matrix-isolated 7-azaindole dimer: Matrix effect on excited state tautomerization" , Chemical Physics Letters (Elsevier ) Volume :546 / 74 / 2012
    • 2011
  • Amit K. Samanta, Prasenjit Pandey, Biman Bandyopadhyay, Anamika Mukhopadhyay and Tapas Chakraborty, "Intra-and intermolecular H-bond mediated tautomerization and dimerization of 3-methyl-1,2-cyclopentanedione: Infrared spectroscopy in argon matrix and CCl4 solution" , Journal of Molecular Structure (Elsevier) Volume :994 / 97 / 2011
  • Prasenjit Pandey, Amit K. Samanta, Biman Bandyopadhyay and Tapas Chakraborty, "Infrared spectroscopy of 2-pyrrolidinone and its hydrogen bonded dimers in a cold (8K) inert gas matrix" , Vibrational Spectroscopy (Elsevier) Volume :55 / 126 / 2011
    • 2010
  • Amit K. Samanta, Prasenjit Pandey, Biman Bandyopadhyay and Tapas Chakraborty, "Cooperative strengthening of an intramolecular O-H···O hydrogen bond by a weak C-H···O counterpart: Matrix-isolation infrared spectroscopy and quantum chemical studies on 3-methyl-1,2-cyclohexan" , The Journal of Physical Chemistry A (The American Chemical Society) Volume :114 / 1650 / 2010
  • Amit K. Samanta, Prasenjit Pandey, Biman Bandyopadhyay and Tapas Chakraborty, "Keto–enol tautomers of 1,2-cyclohexanedione in solid, liquid, vapour and a cold inert gas matrix: Infrared spectroscopy and quantum chemistry calculation" , Journal of Molecular Structure (Elsevier) Volume :963 / 234 / 2010
  • Prasenjit Pandey, Amit K. Samanta, Biman Bandyopadhyay and Tapas Chakraborty, "Amide-I and amide-A bands of δ-valerolactam and its dimers: A combined matrix isolation–FTIR spectroscopy and quantum chemistry study" , Journal of Molecular Structure (Elsevier) Volume :975 / 343 / 2010
    • 2009
  • Anamika Mukhopadhyay, Moitrayee Mukherjee, Prasenjit Pandey, Amit K Samanta, Biman Bandyopadhyay and Tapas Chakraborty, "Blue shifting C−H···O hydrogen bonded complexes between chloroform and small cyclic ketones: Ring-size effects on stability and spectral shifts" , The Journal of Physical Chemistry A (American Chemical Society) Volume :113 / 3078 / 2009

  • National level Conference on North-West Discussion Meeting on Spectroscopy, Structure and Dynamics at MNIT Jaipur, Jaipur, India from 16-03-2018 to 18-03-2018

    Awarded
  • Saptarshi Sarkar on Theoretical Investigation of the Role of Ammonia in Tropospheric Hydrogen Atom Transfer Reactions of Selected Oxygenated Volatile Compounds Year - 2021
    • Ongoing
  • Anikta Kothari on Matrix isolation IR spectroscopic study of surface catalyzed reactions Year - 2022
  • Monu on Effect of hydrogen bond cooperativity on structure and reactivity of selected biomimicking system: A combined spectroscopic and quantum chemical investigation Year - 2018
  • Binod K Oram on A combined spectroscopic and theoretical investigation of atmospherically important weakly bound complexes Year - 2018

    2023-2024
  • ASHRAY DHIMAN on Singlet oxygen initiated atmospheric oxidation of Nitrous oxide Year - 2023-2024 (Ongoing)
  • Raghav Sharma on Disulfide as H-bond acceptor: Binary Complexes of DMDS with RX-H (R = H, CH3, X = O, S) Year - 2023-2024 (Ongoing)
    • 2022-2023
  • Khushi Pareek on IR spectroscopy of isolated molecules in ultracold inert matrices Year - 2022-2023 (Completed)
  • Abhay Chauhan on Carbon monoxide under high pressure: A molecular interpretation Year - 2022-2023 (Completed)
    • 2021-2022
  • Sushil Kumar on Potential energy surface of (H2S)6 Year - 2021-2022 (Completed)
  • Prakash Chandra on Theoretical investigation of weakly bonded complexes Year - 2021-2022 (Completed)
    • 2020-2021
  • Ajay Parashar on DFT study on COS oxidation reaction mechanism Year - 2020-2021 (Completed)
  • Pooja on Study of IR frequencies shifts in S-H---S, O-H---O, S-H---O and O-H---S H-bond interactions by means of quantum chemical calculation Year - 2020-2021 (Completed)
    • 2019-2020
  • Savi on IR spectroscopic study of C-HCl H-bonding in CH2Cl2 and CD2Cl2 solutions at room temperature Year - 2019-2020 (Completed)
  • Sandhya Rani Naik on Computational Investigation of Selected Properties of H2Se Year - 2019-2020 (Completed)
    • 2018-2019
  • Pankaj Sharma on Ketene as a potential source of thioacetic acid in troposphere: Effect of water and ammonia catalysis on sulfolysis of ketene Year - 2018-2019 (Completed)
  • Harshit Pandey on Investigation of the effect of angular vibration on the nature of hydrogen bonds by energy decomposition analysis Year - 2018-2019 (Completed)
    • 2017-2018
  • Binod Kumar Oram on Reaction of sulfur trioxide with ammonia as a potential source of atmospheric sulfamic acid Year - 2017-2018 (Completed)
  • Amit Kumar on Catalytic effect of water and ammonia on decomposition of simplest Criegee intermediates Year - 2017-2018 (Completed)
    • 2016-2017
  • Priyanka on Modulation of activation barriers for H-atom transfer reactions with acid catalysts: A quantum chemical investigation Year - 2016-2017 (Completed)
  • Deepak on Impact of ammonia and ammonia-water complex on isomerization of methoxy radical: A quantum chemical investigation Year - 2016-2017 (Completed)
    • 2015-2016
  • Raghav Kumar on Reaction of ketene with ammonia as a potential source of amide in atmosphere: A quantum chemical investigation Year - 2015-2016 (Completed)

Title Total Outlay
(In Lacs)		 Year Funding Agency Role
Mechanistic and energetic aspects of fast heterogeneous atmospheric reactions on water and ice surfaces, A low temperature IR spectroscopic investigation49.222020-2023SERB-DST, Govt. of IndiaPI
Role of Ammonia in the Chemistry of Oxygenated Volatile Organic Compounds, A Combined IR spectroscopic and Quantum Chemical Investigation39.602016-2019SERB-DST, Govt. of IndiaPI

  • Hostel Warden in MNIT jaipur from - 07-11-2019 to 31-08-2020

SNo. Type Title Event Place Schedule
1TalkA unified cost-effective method for construction of reliable potential energy surfaces for H2S and H2O clustersDiscussion Meeting on Spectroscopy and Dynamics of Molecules and ClustersOnlineMay-2021
2TalkIdentifying the interstellar molecules in the confines of a laboratoryFundamentals of AstronomyOnlineJan-2021
3TalkAtmospheric chemistry of ammonia: Impact on gas phase H-atom transfer reactionsAtmospheric Chemistry: Recenet InsightsOnlineAug-2020
4TalkAmmonia in Atmospheric Hydrogen Atom Transfer ReactionsNorth-West Discussion Meeting on Spectroscopy, Structure and Dynamics, 2017BITS Pilani, Rajasthan, IndiaMar-2017
5TalkRole of Ammonia in the Chemistry of Oxygenated Volatile Organic Compounds in Troposphere14th Discussion Meeting on Spectroscopy and Dynamics of Molecules and ClustersPondicherry, IndiaFeb-2017
6TalkExternal control over tautomeric distribution and inter-conversion by tuning of simple acid-base catalysts15th Indian Theoretical Chemistry Symposium School of Chemistry, University of Hyderabad, IndiaDec-2016
7TalkReaction of Acrylic acid with Hydroxyl Radical at the Acidic Hydrogen- A Quantum Chemical InvestigationNational Conference on Recent Advances in Environmental Sciences and Engineering TechnologiesJodhpur Institute of Engineering and Technology, Jodhpur, Rajasthan, IndiaNov-2016
8TalkImpact of Ammonia on Hydrogen Atom Transfer Reactions in Lower Troposphere National Conference on Recent Developments in ChemistryDepartment of Chemistry, NIT DurgapurOct-2016