Our Publications
2024
56.
Prakash Panwaria*, and Aloke Das* N···C=O n → π* Interaction: Gas-Phase Electronic and Vibrational Spectroscopy Combined with Quantum Chemistry Calculations J. Phys. Chem. A 2024, 128, 4685−4693
55.
Surajit Metya, Supravat Roy, Sourav Mandal, Qian-Rui Huang, Jer-Lai Kuo*, and Aloke Das* Modulation of the strength of weak S–H⋯O hydrogen-bond: Spectroscopic study of the complexes of 2-flurothiophenol with methanol and ethanol J. Chem. Phys. 2024, 160, 224302
2023
54.
Alexis D. Richaud, Sourav Mandal, Aloke Das,* and Stéphane P. Roche* Tunable CH/π Interactions within a Tryptophan Zipper Motif to Stabilize the Fold of Long β-Hairpin Peptides ACS Chem.Biol. 2023,18, 2555−2563
53.
Prakash Panwaria and Aloke Das* Modulation of n → π* Interaction in the Complexes of p‑Substituted Pyridines with Aldehydes: A Theoretical Study J. Phys. Chem. A 2023, 127, 6081−6090
52.
Prakash Panwaria and Aloke Das* Effect of Substituents on the Intramolecular n→π* Interaction in 3‑[2-(Dimethylamino) phenyl] propanal: A Computational Study J. Phys. Chem. A 2023, 127, 3339−3346
2022
51.
Surajit Metya and Aloke Das* S-H...O hydrogen bond can win over O-H...S hydrogen bond: Gas-phase spectroscopy of 2-fluorothiophenol...H2O complex J. Phys. Chem. A 2022, 126, 9178−9189
50.
Prakash Panwaria, Marcos Juanes, Kamal K. Mishra, Rizalina Saragi, Kshetrimayum Borish, Imanol Usabiaga, Ander Camiruaga, José A. Fernández*, Alberto Lesarri*, and Aloke Das* Microhydration of Phenyl Formate: Gas-Phase Laser Spectroscopy, Microwave Spectroscopy,and Quantum Chemistry Calculations ChemPhysChem2022,23,e202200330
49.
Satish Kumar, Kshetrimayum Borish, Sanjit Dey, Jayashree Nagesh * and Aloke Das * Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides Phys. Chem. Chem. Phys., 2022, 24, 18408–18418
48.
Prakash Panwaria and Aloke Das * Understanding the n - p* non-covalent interaction using different experimental and theoretical approaches Phys. Chem. Chem. Phys., 2022, 24, 22371–22389
2021
47.
Kamal K. Mishra, Kshetrimayum Borish, Gulzar Singh, Prakash Panwaria, Surajit Metya, M. S. Madhusudhan*, and Aloke Das* Observation of an Unusually Large IR Red-Shift in an Unconventional S-H...S Hydrogen-Bond J. Phys. Chem. Lett. 2021, 12, 1228-1235
46.
Prakash Panwaria and Aloke Das* Exploring non-covalent interactions by jet-cooled electronic and vibrational spectroscopy; Book Chapter in Modern Techniques of Spectroscopy: Basics, Instrumentation and Applications, Springer Nature, 2021 [ISBN 978-981-33-6083-9].
2020
45.
Moushakhi Ghosh, Prakash Panwaria, Srinu Tothadi, Aloke Das* and Shabana Khan* Bis (silanetellurone) with C-H...Te Interaction Inorg. Chem. 2020, 59, 23, 17811-17821
44.
Manzoor Ahmed, Surajit Metya, Aloke Das, and Pinaki Talukdar* A Sandwich Azobenzene-diamide Dimer for Photoregulated Chloride Transport Chem. Eur. J. 2020, 26, 1-7
2019
43.
Santosh K. Singh$, Prakash Panwaria$, Kamal K. Mishra and Aloke Das*: Steric as well as n→π* Interaction Controls the Conformational Preferences of Phenyl Acetate: Gas-phase Spectroscopy and Quantum Chemical Calculations Chem. Asian J. 2019, 14, 4705-4711
42.
Satish Kumar, Kamal K. Mishra, Santosh K. Singh, Kshetrimayum Borish, Sanjit Dey, Biplab Sarkar* and Aloke Das*: Observation of a weak intra-residue C5 hydrogen-bond in a dipeptide containing Gly-Pro sequence J. Chem. phys., 2019, 151,104309
41.
Kamal K. Mishra, Santosh K. Singh, Satish Kumar, Gulzar Singh, Biplab Sarkar*, M. S. Madhusudhan* and Aloke Das*: Water-Mediated Selenium Hydrogen-Bonding in Proteins: PDB Analysis and Gas Phase Spectroscopy of Model Complexes: J. Phys. Chem. A., 2019, 123, 5995-6002
40.
Santosh K. Singh , Shahaji More , Satish Kumar , Kamal K. Mishra , Krishna. N. Ganesh* and Aloke Das* : Conformation-specific IR Spectroscopic Signature for Weak C=O...C=O n→π* Interaction in Capped 4R-Hydroxyproline Phys. Chem. Chem. Phys., 2019, 21, 4755
2018
39.
Pranab Deb, Geun Young Jin, Santosh K. Singh, Juran Moon, Hyejin Kwon, Aloke Das*, Sayan Bagchi*, and Yung Sam Kim*: Interconverting Hydrogen-Bonding and Weak n→π* Interactions in Aqueous Solution: A Direct Spectroscopic Evidence. J. Phys. Chem. Lett. 2018, 9, 5425-5429
38.
Santosh K. Singh, Prasad Ramesh Joshi, Robert A. Shaw, J. Grant Hill* and Aloke Das* : Interplay between hydrogen bonding and n→π* interaction in an analgesic drug salicin. Phys. Chem. Chem. Phys. 2018, 20, 18361-18373
2017
37.
Kamal Kumar Mishra, Santosh Kumar Singh, Paulami Ghosh, Debashree Ghosh* and Aloke Das*: The nature of selenium hydrogen bonding: gas-phase spectroscopy and quantum chemistry calculations Phys. Chem. Chem. Phys. 2017, 19, 24179-24187
36.
Sumit Kumar, Santosh Kumar Singh, Jamuna Vaishnav, J. Grant Hill*, Aloke Das*: Interplay among electrostatic, dispersion, and steric interactions: Spectroscopy and quantum chemical calculations of 𝜋-hydrogen-bonded complexes. Chem. Phys. Chem. 2017, 18, 828-838
2016
35.
Santosh Kumar Singh, Jamuna Vaishnav, and Aloke Das*: Experimental observation of structures with subtle balance between strong hydrogen bond and weak n→π* interaction: Gas phase laser spectroscopy of 7-azaindole...fluorosubstituted pyridines. J. Chem. Phys. 2016, 145, 104302-104307
34.
Santosh Kumar Singh, Aloke Das* and Gary W. Breton*: An ab Initio Study of the effect of Substituents on the n→π* interactions between 7-Azaindole and 2,6-Difluorosubstituted Pyridines. J. Phys. Chem. A, 2016, 120(31), 6258-6269
33.
Santosh Kumar Singh, Kamal Kumar Mishra, Neha Sharma, and Aloke Das*: Direct spectroscopic evidence for an n→π* interaction. Angew. Chem. Int. Ed. 2016, 55, 7801-7805
2015
32.
Santosh Kumar Singh* and Aloke Das*, The n→π* interaction: a rapidly emerging non-covalent interaction. Phys. Chem. Chem. Phys. 2015, 17, 9596-9612
2014
31.
Sumit Kumar, Santosh Kumar Singh, Camilla Calabrese, Assimo Maris, Sonia Melandri and Aloke Das*, Structure of saligenin: Microwave, UV, and IR spectroscopy studies in a supersonic jet combined with quantum chemistry calculations Phys. Chem. Chem. Phys. 2014, 16, 17163-17171
30.
J. Grant Hill* and Aloke Das, Interaction in the indole...imidazole heterodimer: Structure, Franck-Condon analysis and energy decomposition. Phys. Chem. Chem. Phys, 2014, 16, 11754
29.
Santosh Kumar Singh, Sumit Kumar and Aloke Das*, Competition between n→π* and conventional hydrogen bonding (N-H...N) interactions: An ab initio study of the complexes of 7-azaindole and fluorosubstituted pyridines. Phys. Chem. Chem. Phys. 2014, 16, 8819.
2013
28.
Sumit Kumar, and Aloke Das*, Observation of exclusively π-stacked heterodimer of indole and hexafluorobenzene in the gas phase. J. Chem. Phys. 2013, 139, 104311.
2012
27.
K. Kotsis; J. A. Lopez-Dominguez; R. R. Lucchese; A. Das; D. Hardy and E. D. Poliakoff, Non-resonant breakdown of the Franck-Condon approximation as seen in vibrational branching ratios. J. Phys.: Conf. Ser. 2012, 388, 022061.
26.
Sumit Kumar, Ankita Mukherjee and Aloke Das*, Structure of Indole...Imidazole Heterodimer in a Supersonic Jet: A Gas Phase Study on the Interaction between the Aromatic Side Chains of Tryptophan and Histidine Residues in Proteins. J. Phys. Chem. A 2012. 116, 11573.
25.
Sumit Kumar and Aloke Das*, Effect of acceptor heteroatoms on p-hydrogen bonding interactions: A study of indole...thiophene heterodimer in a supersonic jet, J. Chem. Phys. 2012, 137, 094309.
24.
J. A. Lopez-Dominguez, David Hardy, Aloke Das, E. D. Poliakoff, Alex Aguilar, Robert R. Lucchese, Mechanism of Franck-Condon breakdown over a broad energy range in the valence photoionization of N2 and CO, Journal of Electron Spectroscopy and Related Phenomena 2012, 185, 211.
23.
Sumit Kumar and Aloke Das, Mimicking trimeric interactions in the aromatic side chains of the proteins: A gas phase study of indole...(pyrrole)2 heterotrimer, J. Chem. Phys. 2012, 136, 174302 .
22.
Sumit Kumar, Vedant Pande, and Aloke Das, p-hydrogen bonding wins over conventional hydrogen bonding interaction: A jet-cooled study of indole...furan heterodimer, J. Phys. Chem. A 2012, 116, 1368.
2011
21.
Sumit Kumar, Indu Kaul, Partha Biswas, and Aloke Das, Structure of 7-azaindole...2-fluoropyridine dimer in a supersonic jet: Competition between N-H...N and N-H...F interactions, J. Phys. Chem. A 2011, 115, 10299.
20.
Sumit Kumar, Partha Biswas, Indu Kaul, and Aloke Das, Competition between hydrogen bonding and dispersion interactions in indole...pyridine dimer and (indole)2...pyridine trimer studied in a supersonic jet,
2010
19.
R. R. Lucchese, R. Montuoro, K. Kotsis, M. Tashiro, M. Ehara, John D. Bozek, Aloke Das, A. Landry, J. D. Rathbone, E. D. Poliakoff, The effect of vibrational motion on the dynamics of shape resonant photoionization of BF3 leading to the E 2A1/ state of BF3+, Mol. Phys. 2010, 108, 1055.
2009
18.
R. R. Lucchese, John D. Bozek, Aloke Das, E. D. Poliakoff, Using vibrational branching ratios to probe initial and final state effects in molecular photoionization, J. Phys: Conf. Ser. 2009, 194, 022056.
17.
R. R. Lucchese, John D. Bozek, Aloke Das, E. D. Poliakoff, Vibrational branching ratios in the (b2u)-1 photoionization of C6F6, J. Chem. Phys. 2009, 131, 044311.
16.
Aloke Das, E. D. Poliakoff, R. R. Lucchese, and John D. Bozek, Mode-specific photoionization dynamics of a simple asymmetric target: OCS, J. Chem. Phys. 2009, 130, 044302.
2007
15.
Aloke Das, E. D. Poliakoff, R. R. Lucchese and John D. Bozek, Vibrationally resolved photoionization dynamics of CF4 in D2A1 state, J. Chem. Phys. 2007, 127, 044312.
14.
Raffaele Montuoro, R. R. Lucchese, John D. Bozek, Aloke Das, and E. D. Poliakoff, Quasibound continuum states in SiF4 5a1-1 photoionization: Photoelectron-vibrational coupling, J. Chem. Phys. 2007, 126, 244309.
2006
13.
Aloke Das, E. D. Poliakoff, R. R. Lucchese and John D. Bozek, Launching a particle on a ring: b2u → ke2g ionization of C6F6, J. Chem. Phys. 2006, 125, 164316.
2005
12.
Talitha M. Selby, Aloke Das, Tefsit Bekele, Hsiupu D. Lee, and Timothy S. Zwier, Conformation-specific spectroscopy of 3-benzyl-1, 5-hexadiyne, J. Phys. Chem. A 2005, 109, 8497.
2004
11.
Jaime A. Stearns, Aloke Das, and Timothy S. Zwier, Hydrogen atom dislocation in the excited state of anthranilic acid: Probing the carbonyl stretch fundamental and the effects of water complexation, Phys. Chem. Chem. Phys. 2004, 6, 2605
2003
10.
Aloke Das, K. K. Mahato, Sujit S. Panja, and Tapas Chakraborty, Conformations of Indan and 2-Indanol: A combined study by UV laser spectroscopy and quantum chemistry calculation, J. Chem. Phys. 2003, 119, 2523
9.
Aloke Das, Chayan K. Nandi, and Tapas Chakraborty, Structure and electronic spectroscopy of naphthalene-acenaphthene van der Waals dimer: Hole burning, dispersed fluorescence, and quantum chemistry calculations, J. Chem. Phys. 2003, 118, 9589.
2002
8.
K. K. Mahato, Aloke Das, A. N. Panda, N. Sathyamurthy, and Tapas Chakraborty, Rotational isomers of 1-methoxynaphthalene: A combined study by ultraviolet laser spectroscopy in a supersonic jet and ab initio theoretical calculation, J. Phys. Chem. A 2002, 106, 12058.
7.
Aloke Das, K. K. Mahato, Chayan K. Nandi, Sridhar R. Gadre, Nikhil A. Gokhale, and Tapas Chakraborty, Exciplex emission from the mixed dimer of naphthalene and 2-Cyanonaphthalene in supersonic jet, Phys. Chem. Chem. Phys. 2002, 4, 2162.
6.
Sudip Banerjee, Nikhil Guchhait, Debnarayan Nath, Mihir Chowdhury, P. S. Meenakshi , Sanjay Wategaonkar, Aloke Das, and Tapas Chakraborty, Discrimination of two low-energy conformers of octahydroanthracene in supersonic jet, Chem. Phys. Lett. 2002, 366, 211.
5.
Aloke Das, K. K. Mahato, and Tapas Chakraborty, Excimer formation in the mixed dimer of aromatic hydrocarbons: A laser-induced fluorescence study in supersonic jet, Indian Acad. Sci. (Chem. Sci.) 2002, 114, 768.
2001
4.
Aloke Das, K. K. Mahato, and Tapas Chakraborty, Excimer formation in jet-cooled 2-methoxynaphthalene clusters, Chem. Phys. Lett. 2001, 341, 115.
3.
Aloke Das, K. K. Mahato, and Tapas Chakraborty, Excimer formation in the mixed dimers of naphthalene and 1-methoxynaphthalene in supersonic jet, Phys. Chem. Chem. Phys. 2001, 3, 1813.
2.
Aloke Das, K. K. Mahato, and Tapas Chakraborty, Jet Spectroscopy of van der Waals dimers of 1-methoxynaphthalene: A laser induced fluorescence study, J. Chem. Phys. 2001, 114, 8310.
1.
Aloke Das, K. K. Mahato, and Tapas Chakraborty, Observation of exciplex emission from the mixed dimer of naphthalene and 2-methoxynaphtahlene: A laser-induced fluorescence study in supersonic jet, J. Chem. Phys. 2001, 114, 6107.