Journal ArticleDOI
Spectroscopic investigation of tetrahydroisoquinoline in supersonic jet
Abhijit Chakraborty,Nikhil Guchhait,Sudip Banerjee,Debnarayan Nath,G. Naresh Patwari,Mihir Chowdhury +5 more
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In this paper, the authors presented the fluorescence excitation and dispersed emission spectra of tetrahydroisoquinoline and confirmed two origins for two conformers with the hydrogen atom attached to the nitrogen atom at axial and equatorial positions.Abstract:
Fluorescence excitation and dispersed emission spectra of tetrahydroisoquinoline are presented here. Two bands at 36 781 and 36 884 cm−1 are confirmed from the spectral hole burning studies as two origins for two conformers. These bands correspond to the inequivalent twist conformers with the hydrogen atom attached to the nitrogen atom at axial and equatorial positions, respectively. The former is found to be the most stable one. SVL spectra are explained on the basis of two theoretically calculated low-frequency vibrations. These correspond to the butterfly and puckering motions of the benzene chromophore, respectively.read more
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Chirality-dependent hydrogen bond direction in jet-cooled (S)-1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): IR-ion dip vibrational spectroscopy of the neutral and the ion.
Ahmed Mahjoub,Amrita Chakraborty,Amrita Chakraborty,Valeria Lepere,Katia Le Barbu-Debus,Nikhil Guchhait,Anne Zehnacker +6 more
TL;DR: The structural modifications of (S)-1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM) upon ionisation have been investigated in jet-cooled conditions and results support the presence in the jet of two low-energy conformers of THIQM.
Journal ArticleDOI
Structure of hydrated clusters of tetrahydroisoquinoline [THIQ-(H2O)(n=1,3)] investigated by jet spectroscopy.
Nikhil Guchhait,Sudip Banerjee,Avijit Chakraborty,Debnarayan Nath,Ganpathi Patwari Naresh,Mihir Chowdhury +5 more
TL;DR: The hydrated clusters of tetrahydroisoquinoline have been investigated by laser-induced fluorescence, UV-UV hole burning, and IR-UV double-resonance spectroscopy in a seeded supersonic jet and it is found that the water molecules form linear and eight-membered cyclic H-bonded structures at the nitrogen center of 1:1, 1:2, and 1:3 clusters.
Journal ArticleDOI
Conformers of 1,2,3,4 –tetrahydroisoquinoline in S0 and S1: An analysis through potential energy surface, hardness principles and vibrational spectroscopy
TL;DR: In this paper, a conformational search for 1, 2, 3, 4-tetrahydroisoquinoline (THIQ) yields a number of conformers in S0 and S1 states.
Journal ArticleDOI
Fluorescence excitation spectra, Raman spectra and structure of isochroman in its S1 (π, π∗) state
TL;DR: In this paper, the laser induced fluorescence excitation (FE) spectra of jet-cooled isochroman is used along with the theoretical calculations to assign vibronic levels in 0-500 cm−1 region in the S1 (π, π∗) state.
Journal ArticleDOI
Conformational landscape, stability, potential energy curves and vibrations of 1,2,3,4 tetrahydroquinoline
TL;DR: In this article, the twisted conformer with the equatorial hydrogen of the NH group is computed to be the most stable conformer of tetrahydroquinoline in S0 and S1 states at various levels of quantum chemical computations.
References
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Journal ArticleDOI
Relaxation of conformers and isomers in seeded supersonic jets of inert gases
TL;DR: In this article, the authors studied the relaxation of conformers and the formation/relaxation of isomeric, weakly bonded dimers in pulsed supersonic expansions of seeded inert gases (He, Ne, Ar, Kr).
Journal ArticleDOI
OH stretching vibrations of phenol-(H2O)n (n=1-3) complexes observed by IR-UV double-resonance spectroscopy
TL;DR: In this paper, the stretching vibrations of jet-cooled phenol and phenol (H 2 O) n (n = 1-3) complexes were investigated by IR-UV double-resonance spectroscopy.
Journal ArticleDOI
Conformational landscapes in amino acids: infrared and ultraviolet ion-dip spectroscopy of phenylalanine in the gas phase
TL;DR: In this article, a full structural assignment of the most stable conformers of phenylalanine, based upon a combination of ultraviolet and infrared ion-dip spectroscopy of the jet-cooled amino acid, coupled with high-level ab initio computation is presented for the first time.
Journal ArticleDOI
The electronic spectrum of the amino acid tryptophan in the gas phase
TL;DR: The electronic spectrum of the amino acid tryptophan has been measured in the environment of a cold, supersonic molecular beam as discussed by the authors, and features characteristic of more volatile indole derivitives, however the region of the spectrum near the origin shows distinctive low frequency structure absent from the simpler indole containing molecules.
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