Publications
List of manuscripts under revision and available on the Open Access Platforms
53. R. Knochenmuss, R. K. Sinha, S. Maity, S. Leutwyler, “Intermolecular Dissociation Energies of 1-Naphthol Complexes with Ethene and Chloroethenes”, Preprint available 10.26434/chemrxiv-2023-djdhz.
52. S. Baweja, B. Kalal, S. Maity* "A Combined Experimental and Computational Investigation of Hydrogen-Bonded 2,7-Diazaindole-(Water)1,2 Complexes Isolated in the Gas Phase" Preprint available 10.26434/chemrxiv-2023-09rcb
Peer-Reviewed Articles
2024
52. S. Baweja, B. Kalal, S. Maity* "Spectroscopic Characterization of Hydrogen-Bonded 2,7-Diazaindole Water Complex Isolated in the Gas Phase" J. Phys. Chem. A, 2024 (accepted). P52, SI
51. M. Shabeeb, S. Maity*, "Computational Investigation on Adsorption and Activation of Atmospheric Pollutants CO, NO and SO on Small Cobalt Clusters", Chem. Phys., 2024, 582, 112291. P51, SI
2023
50. S. Baweja, B. Kalal, S. Maity*, "Laser Spectroscopic Characterization of Supersonic Jet Cooled 2,7-Diazaindole", Phys. Chem. Chem. Phys. 2023, 25, 26679. P50
49. S. Baweja, B. Kalal, P. Mitra, S. Maity*, “Solvent Mediated Excited State Hydrogen Transfer in 6-Azaindole - S3,4 and 2,6-Diazaindole - S3,4 Clusters (S= H2O, NH3)” ChemPhysChem 2023, e202300270. P49
48. R. Jarupula, M. Shabeeb, S. Maity* “Investigation on the Correlation of Stability, Reactivity, and Structural Properties of C/C2-doped Neutral and Charged Aln (n=2-7) Clusters,” Chem. Phys. 2023, 573, 111976. P048
47. R. Jarupula,# S. Khodia,# M. Shabeeb, S. Maity*, “A Combined Spectroscopic and Computational Investigation on the Solvent-to-Chromophore Excited-State Proton Transfer in the 2,2’-Pyridylbenzimidazole-Methanol Complex,” Phys. Chem. Chem. Phys. 2023, 25, 17010.P047
46. M. Shabeeb, R. Jarupula, S. Maity*, “Adsorption of CO, NO and SO on Fe2-10 Clusters: A Computational Investigation on the Metal Catalysed Activation of Atmospheric Pollutants,” Comput. Theo. Chem., 2023, 1225, 114160. P046
45. R. Jarupula, Md. Shabeeb and S. Maity*, “A computational investigation on the correlation of structure, stability, and reactivity of neutral and charged mono- and di-aluminium doped linear carbon chains (Al1,2C1-7),” Comput. Theo. Chem., 2023, 1225, 114136. P045
44. S. Khodia,# R. Jarupula,# S. Baweja, M. Shabeeb, B. Kalal and S. Maity*, “Excited State Deactivation via Solvent to Chromophore Proton Transfer in Isolated 1:1 Molecular Complex: Experimental Validation by Measuring the Energy Barrier and Kinetic Isotope Effect,” Phys. Chem. Chem. Phys., 2023, 25, 13498-13507. P044
43. S. Khodia, R. Jarupula and S. Maity*, “Accurate measurement of sequential Ar desorption energies from the dispersion-dominated Ar1-3 complexes of aromatic molecule” Phys. Chem. Chem. Phys. 2023, 25, 2510-2516. P043
2022
42. S. Khodia and S. Maity, "A combined experimental and computational study on the deactivation of a photo-excited 2,2’-pyridylbenzimidazole-water complex via excited-state proton transfer" Phys. Chem. Chem. Phys., 2022, 24, 12043-12051. P042
41. P. Roy Chowdhury,# S. Khodia# and S. Maity, "Solvent Assisted Excited-State Deactivation Pathways in Isolated 2,7-diazaindole-S1-3 (S=Water and Ammonia) Complexes" Spectrochimica Acta Part A: Mol. Biomol. Spectrosc. 2022, 278, 121285 . (#equal contribution) P041
40. S. Baweja#, P. Roy Chowdhury# and S. Maity, "Excited state hydrogen atom transfer pathways in 2,7-diazaindole – S1-3 (S = H2O and NH3) clusters", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2022, 265, 120386 (#equal contribution). P040
2021
39. S. Khodia and S. Maity, "A combined spectroscopic and computational investigation on dispersion-controlled docking of Ar atoms on 2-(2'-pyridyl) benzimidazole" Phys. Chem. Chem. Phys., 2021, 23, 17992 - 18000. P039
38. S. Khodia, S. Halder, S. Sarkar and S. Maity, "The account of atom-pair dispersion interaction on the stabilization of C–H/π bound phenylacetylene–hydrocarbon complexes." Theor. Chem. Acc. 2021, 140, 46. P038
2016-2020
37. R. Knochenmuss, S. Maity, F. Balmer, C. Muller, and S. Leutwyler, "Intermolecular dissociation energies of 1-naphthol·n-alkane complexes" J. Chem. Phys. 2018, 149, 034306.
36. R. Knochenmuss, S. Maity, G. Féraud and S. Leutwyler, "Measuring Intermolecular Binding Energies by Laser Spectroscopy" Chimia, 2017, 7-12.
35. S. Maity, P. Ottiger, F. A. Balmer, R. Knochenmuss and S. Leutwyler, "Intermolecular Dissociation Energies of Dispersively Bound 1-Naphthol·Cycloalkane Complexes" J. Chem. Phys. 2016, 145, 244314.
34. S. Maity, R. Knochenmuss, C. Holzer, G. Féraud, J. Frey, W. Klopper and S. Leutwyler, "Accurate Dissociation Energies of Two Isomers of the 1-Naphthol-Cyclopropane Complex" J. Chem. Phys. 2016, 145, 164304.
33. M. Steglich, S. Maity and J. P. Maier, " Visible Absorptions of Potential Diffuse ISM Hydrocarbons: C9H9 and C9H5 Radicals" Astrophys. J. 2016, 830, 145/1-145/6.
32. S. Maity, M. Steglich and J. P. Maier, "Electronic Spectroscopy of Resonance-Stabilized C6H7 Radicals" Mol. Phys. 2016, 114, 2808-2816.
2011-2015
31. S. Maity, M. Steglich and J. P. Maier, "Gas Phase Detection of Benzocyclopropenyl Radical" J. Chem. Phys. A 2015, 119, 10849-10853.
30. S. Maity, M. Steglich and J. P. Maier, "Electronic Spectroscopy of Resonantly Stabilized Aromatic Radicals: 1-Indanyl Radical (C9H9) and Its Methyl Substituted Isomers (C9H8CH3)" J. Phys. Chem. A 2015, 119, 9078-9084.
29. M. Steglich, J. Fulara, S. Maity, A. Nagy and J. P. Maier, "Electronic Spectra of Linear HC5H and Cumulene Carbene H2C5" J. Chem. Phys. 2015, 142, 244311.
28. S. Maity, B. B. Dangi, D. S. N. Parker, R. I. Kaiser, H. M. Lin, B. J. Sun and A. H. H. Chang, “Combined Crossed Molecular Beam and Ab-Initio Investigation of the Reaction of Boron Monoxide (BO; X2Σ+) with 1,3-Butadiene (CH2CHCHCH2; X1Ag) and Its Deuterated Counterparts” J. Phys. Chem. A 2015, 119, 1094-1107.
27. R. I. Kaiser, S. Maity and B. M. Jones, "Synthesis of Prebiotic Glycerol in Interstellar Ices" Angew. Chem. Int. ed. 2015, 127, 197-202.
26. S. Maity, R. I. Kaiser and B. M. Jones, "Formation of Complex Organic Molecules in Methanol and Methanol−Carbon Monoxide Ices Exposed to Ionizing Radiation − A Combined FTIR and Reflectron Time-of-Flight Mass Spectrometry Study" Phys. Chem. Chem. Phys. 2015, 17, 3081-3114.
25. S. Maity, D. S. N. Parker, B. B. Dangi, R. I. Kaiser, Y An, B. J. Sun and A. H. H. Chang, “Combined Crossed Molecular Beam and Ab-Initio Investigation of the Multichannel Reaction of Boron Monoxide (BO; X2Σ+) with Propylene (CH2CHCH2; X1A′): Competing Atomic Hydrogen and Methyl Loss Pathways” J. Phys. Chem. A 2014, 118, 9632-9645.
24. L. Zhou, S. Maity, M. Abplanalp, A. Turner and R. I. Kaiser, "On the Radiolysis of Ethylene Ices by Energetic Electrons and Implications to the Extraterrestrial Hydrocarbon Chemistry" Astrophys. J. 2014, 790, 38.
23. S. Maity, R. I. Kaiser and B. M. Jones, "Formation of Ketene (H2CCO) in Interstellar Analogous Methane (CH4) - Carbon Monoxide (CO) Ices: A Combined FTIR and Reflectron Time-of-Flight Mass Spectroscopic Study" Astrophys. J. 2014, 789, 36.
22. S. Maity, D. S. N. Parker, R. I. Kaiser, B. Ganoe, S. Fau, A. Perera and R. J. Bartlet, “Gas-Phase synthesis of Boronylallene (H2CCCH11BO) under Single Collision Conditions: A Crossed Molecular Beams and Computational Study” J. Phys. Chem. A 2014, 118, 3810-3819.
21. D. S. N. Parker, S. Maity, B. B. Dangi, R. I. Kaiser and A. M. Mebel, "Understanding the Chemical Dynamics of the Reactions of Dicarbon with 1-Butyne, 2-Butyne, and 1,2-Butadiene – toward the Formation of Resonantly Stabilized Free Radicals" Phys. Chem. Chem. Phys. 2014, 16, 12150-12163.
20. S. Maity, R. I. Kaiser and B. M. Jones, "Infrared and Reflectron Time-of-Flight Mass Spectroscopic Study on the Synthesis of Glycolaldehyde in Methanol (CH3OH) and Methanol − Carbon Monoxide (CH3OH−CO) Ices Exposed to Ionization Radiation" Faraday Discussion 2014, 168, 485-516.
19. R. I. Kaiser, S. Maity and B. M. Jones, "Infrared and Reflectron Time-of-Flight Mass Spectroscopic Analysis of Methane (CH4) − Carbon Monoxide (CO) Ices Exposed to Ionization Radiation – Toward the Formation of Carbonyl-Bearing Molecules in Extraterrestrial Ices" Phys. Chem. Chem. Phys. 2014, 16, 3399-3424.
18. R. I. Kaiser, S. Maity, B. B. Dangi, Y. S. Su, B. J. Sun and A. H. H. Chang, “A Crossed Molecular Beam and Ab-Initio Investigation on the Exclusive Methyl Loss Pathway in the Gas Phase Reaction of Boron Monoxide (BO; X2Σ+) with Dimethylacetylene (CH3CCCH3; X1A1g)” Phys. Chem. Chem. Phys. 2014, 16, 989-997.
17. S. Maity and R. I. Kaiser, "Electron Irradiation of Carbon Disulfide − Oxygen Ices: Toward the Formation of Sulfur-Bearing Molecules in Interstellar Ices" Astrophys. J. 2013, 773, 184.
16. S. Maity, Y. S. Kim, R. I. Kaiser, H. M. Lin, B. J. Sun and A. H. H. Chang, "On the Detection of Higher Order Carbon Sulfides (CSx ; x = 4-6) in Low Temperature Carbon Disulfide Ices" Chem. Phys. Lett. 2013, 577, 42-47.
15. B. B. Dangi, S. Maity, R. I. Kaiser and A. M. Mebel, “A Combined Crossed Beam and Ab Initio Investigation of the Gas Phase Reaction of Dicarbon Molecules (C2; X1Σ+g/a3Πu) with Propene (C3H6; X1Aʹ) – Identification of the Resonantly Stabilized Free Radicals 1- and 3- Vinylpropargyl” J. Phys. Chem. A 2013, 117, 11783-11793.
14. S. Maity, D. S. N. Parker, B. B. Dangi, R. I. Kaiser, S. Fau, A. Perera and R. J. Bartlet, “A Crossed Molecular Beam and Ab-Initio Investigation of the Reaction of Boron Monoxide (BO; X2Σ+) with Methylacetylene (CH3CCH; X1A1) – Competing Atomic Hydrogen and Methyl Loss Pathways” J. Phys. Chem. A 2013, 117, 11794-11807.
13. Y. S. Kim, K. P. Wo, S. Maity, S. K. Atreya and R. I. Kaiser,"Radiation-Induced Formation of Chlorine Oxides and Their Potential Role of Martian Perchlorates" J. Am. Chem. Soc. 2013, 135, 4910-4913.
12. S. Maity and G. N. Patwari, “Intermolecular Structure on the Binary Complexes of Water with Phenylacetylene and Its Substituted Analogues: A Combined Spectroscopic and Ab-Initio Investigation” Ind. J. Chem. 2012, 86, 173-179.
11. S. Banerjee, S. Maity and A. Datta, “Enhanced Trapping Effiency in Acid-Treated Silica Nanostructures” J. Phys Chem C 2011, 115, 22804-22809.
10. S. Maity, D. K. Maity and G. N. Patwari, “Interactions of Alcohols with 2-Fluoro- and 4-Fluorophenylacetylenes: Infrared-Optical Double Resonance Spectroscopic and Computational Investigations” J. Phys. Chem. A 2011, 115, 11229-11237.
9. S. Maity, M. Guin, P. C. Singh and G. N. Patwari, “Phenylacetylene: A Hydrogen Bonding Chameleon” Chemphyschem 2011, 12, 26-46.
8. S. Maity, R. Sedlak, M. A. Addicoat, S. Irle, P. Hobza and G. N. Patwari, “A π Stacked Phenylacetylene Dimer” Phys. Chem. Chem. Phys. 2011, 13, 16706-16712; Phys. Chem. Chem. Phys. 2011, 13, 21651-21652.
2008-2010
7. S. Maity, A. Dey, G. N. Patwari, S. Karthikeyan and K. S. Kim, “A Combined Spectroscopic and Ab-Initio Investigation of Phenylacetylene-Methylamine Complex. Observation of σ and π Type Hydrogen-Bonded Configurations and Fluorescence Quenching by Weak C–H∙∙∙N Hydrogen Bonding” J. Phys. Chem. A 2010, 114, 11347-11352.
6. M. Guin, S. Maity and G. N. Patwari, “Infrared-Optical Double Resonance Spectroscopic Measurements on 2-(2'-Pyridyl) Benzimidazole and Its Hydrogen Bonded Complexes with Water and Methanol” J. Phys. Chem. A 2010, 114, 8323-8330.
5. S. Maity and G. N. Patwari, “Hydrogen Bonding to Multifunctional Molecules: Spectroscopic and Ab-Initio Investigation of 4-Ethynylbenzonitrile-(Water)1-3 Complexes” J. Phys. Chem. A 2010, 114, 8337-8344.
4. S. Maity, G. N. Patwari, S. Karthikeyan and K. S. Kim, “Binary Complexes of Tertiary Amines with Phenylacetylene: Dispersion Wins over Electrostatics” Phys. Chem. Chem. Phys. 2010, 12, 6150-6156.
3. S. Maity, R. Sedlak, P. Hobza and G. N. Patwari, “Infrared-Optical Double Resonance Spectroscopic Measurements and Highly Accurate CCSD(T) Calculations on a Binary Complex Between Phenylacetylene and Borane-Trimethylamine. Understanding the Role of C–H∙∙∙π Interactions” Phys. Chem. Chem. Phys. 2009, 11, 9738-9743.
2. S. Maity and G. N. Patwari, “Hydrogen Bonding to Multifunctional Molecules: Spectroscopic and Ab-Initio Investigation of Water Complexes of Fluorophenylacetylenes” J. Phys. Chem. A 2009, 113, 1760-1769.
1. P. C. Singh, S. Maity and G. N. Patwari, “Water Complexes of Styrene and 4-Fluorostyrene: A Combined Electronic, Vibrational Spectroscopic and Ab-Initio Investigation” J. Phys. Chem. A 2008, 112, 9702-9707.