Exploring Non-covalent Interactions
by Jet-Cooled Electronic and Vibrational
Spectroscopy
Prakash Panwaria and Aloke Das
Abstract Gas-phase laser spectroscopy in a supersonic jet is an important technique
to probe the intrinsic nature and strength of weak non-covalent interactions present in
molecular systems relevant to biology and materials. In this chapter, a brief review of
supersonic expansion, laser desorption, time of flight mass spectrometry, and various
laser spectroscopic techniques based on resonantly enhanced multiphoton ionization
(REMPI) and laser-induced fluorescence (LIF) has been presented. Further, some
representative results on the interplay between various non-covalent interactions, as
well as the inherent nature and strength of an unconventional non-covalent interaction, namely Se hydrogen bonding interaction, have been described. An in-depth
understanding of various non-covalent interactions is crucial for the optimum design
of drugs and functional materials. The future of gas-phase laser spectroscopy lies in
obtaining insight on the non-covalent interactions directly from the study of larger
peptides or equivalent molecular systems.
Keywords Supersonic jet · UV/IR laser spectroscopy · Laser desorption · Time of
flight mass spectrometry · Non-covalent interactions · Unconventional hydrogen
bonds
1 Introduction
The subtle interplay between various types of non-covalent interactions is the key
to the specific structures and functions of biomolecules, various supramolecular
assemblies, drugs, etc. [1–13]. A detailed understanding of these non-covalent interactions and their interplay is essential for designing advanced functional materials and
improved drugs. Non-covalent interactions range from conventional and unconventional hydrogen bonding [4–22], π-stacking [7, 23–31], cation-π [32–39], anion-π
[40–43], chalcogen and pnictogen bonds [44–58], halogen bonds [55, 58–65], n →
P. Panwaria · A. Das (B)
Department of Chemistry, Indian Institute of Science Education and Research, Dr. Homi Bhabha
Road, Pashan, Pune 411008, Maharashtra, India
e-mail: a.das@iiserpune.ac.in
© The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2021
D. K. Singh et al. (eds.), Modern Techniques of Spectroscopy, Progress in Optical Science
and Photonics 13, https://doi.org/10.1007/978-981-33-6084-6_3
57
by Jet-Cooled Electronic and Vibrational
Spectroscopy
Prakash Panwaria and Aloke Das
Abstract Gas-phase laser spectroscopy in a supersonic jet is an important technique
to probe the intrinsic nature and strength of weak non-covalent interactions present in
molecular systems relevant to biology and materials. In this chapter, a brief review of
supersonic expansion, laser desorption, time of flight mass spectrometry, and various
laser spectroscopic techniques based on resonantly enhanced multiphoton ionization
(REMPI) and laser-induced fluorescence (LIF) has been presented. Further, some
representative results on the interplay between various non-covalent interactions, as
well as the inherent nature and strength of an unconventional non-covalent interaction, namely Se hydrogen bonding interaction, have been described. An in-depth
understanding of various non-covalent interactions is crucial for the optimum design
of drugs and functional materials. The future of gas-phase laser spectroscopy lies in
obtaining insight on the non-covalent interactions directly from the study of larger
peptides or equivalent molecular systems.
Keywords Supersonic jet · UV/IR laser spectroscopy · Laser desorption · Time of
flight mass spectrometry · Non-covalent interactions · Unconventional hydrogen
bonds
1 Introduction
The subtle interplay between various types of non-covalent interactions is the key
to the specific structures and functions of biomolecules, various supramolecular
assemblies, drugs, etc. [1–13]. A detailed understanding of these non-covalent interactions and their interplay is essential for designing advanced functional materials and
improved drugs. Non-covalent interactions range from conventional and unconventional hydrogen bonding [4–22], π-stacking [7, 23–31], cation-π [32–39], anion-π
[40–43], chalcogen and pnictogen bonds [44–58], halogen bonds [55, 58–65], n →
P. Panwaria · A. Das (B)
Department of Chemistry, Indian Institute of Science Education and Research, Dr. Homi Bhabha
Road, Pashan, Pune 411008, Maharashtra, India
e-mail: a.das@iiserpune.ac.in
© The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2021
D. K. Singh et al. (eds.), Modern Techniques of Spectroscopy, Progress in Optical Science
and Photonics 13, https://doi.org/10.1007/978-981-33-6084-6_3
57