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Journal of Chemical Physics / Volume 120 / Issue 20 / ARTICLES / Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry

J. Chem. Phys. 120, 9514 (2004); http://dx.doi.org/10.1063/1.1711810 (10 pages)

Structure of hydrated clusters of tetrahydroisoquinoline [THIQ–(H2O)n = 1,3] investigated by jet spectroscopy

Nikhil Guchhait1, Sudip Banerjee2, Avijit Chakraborty2, Debnarayan Nath2, Ganpathi Patwari Naresh3, and Mihir Chowdhury2

1Department of Chemistry, Calcutta University, Kolkata 700 009, India
2Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032, India
3Department of Chemistry, Tohoku University, Sendai 980 8578, Japan

(Received 28 January 2003; accepted 1 March 2004)

The hydrated clusters of tetrahydroisoquinoline have been investigated by laser-induced fluorescence (LIF), UV–UV hole burning, and IR–UV double-resonance spectroscopy in a seeded supersonic jet. Clusters of different sizes and isomeric structures have different 0–0 transitions (origins) in the LIF spectrum. UV–UV hole burning spectroscopy has been used to identify different cluster species and their vibrational modes. The structures of the clusters have been predicted by comparing the observed OH and NH frequencies in the IR–UV double-resonance spectra with the results calculated at different levels of sophistication. It is found that the water molecules form linear and six- and eight-membered cyclic H-bonded structures at the nitrogen center of 1:1, 1:2, and 1:3 clusters, respectively. © 2004 American Institute of Physics.

© 2004 American Institute of Physics

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KEYWORDS and PACS

Keywords

fluorescence, solvation, molecular clusters, optical hole burning, ultraviolet spectra, infrared spectra, hydrogen bonds, molecular configurations, vibrational modes, organic compounds

PACS

  • 36.40.Mr

    Spectroscopy and geometrical structure of clusters

  • 82.30.Nr

    Association, addition, insertion, cluster formation

  • 33.50.Dq

    Fluorescence and phosphorescence spectra

  • 33.20.Lg

    Ultraviolet spectra

  • 33.20.Ea

    Infrared spectra

  • 33.15.Fm

    Bond strengths, dissociation energies

  • 33.15.Bh

    General molecular conformation and symmetry; stereochemistry

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.1711810

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    C. J. Gruenloh, J. R. Carney, F. C. Hagemeister, C. A. Arrington, and T. Zwier, J. Chem. Phys. 109, 6601 (1998)JCPSA6000109000016006601000001.

    G. M. Floria, C. J. Gruenloh, R. C. Quimpo, and T. S. Zwier, J. Chem. Phys. 113, 11143 (2000)JCPSA6000113000024011143000001.

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    A. Fujii, E. Fujikami, T. Ebata, and N. Mikami, J. Chem. Phys. 112, 6275 (2000)JCPSA6000112000014006275000001.

    A. Chakraborty, N. Guchhait, S. Banerjee, D. N. Nath, G. N. Patwari, and M. Chowdhury, J. Chem. Phys. 115, 5184 (2001)JCPSA6000115000011005184000001.

    N. Guchhait, T. Ebata, and N. Mikami, J. Chem. Phys. 111, 8438 (1999)JCPSA6000111000018008438000001.

    T. Watanabe, T. Ebata, S. Tanabe, and N. Mikami, J. Chem. Phys. 105, 408 (1996)JCPSA6000105000002000408000001.

    M. Schutz, T. Burgi, S. Leutwyler, and T. Fischer, J. Chem. Phys. 98, 3763 (1993)JCPSA6000098000005003763000001.


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