High-resolution laser-induced fluorescence spectra of 7-azaindole-water complexes and 7-azaindole dimer

A. Nakajima, M. Hirano, R. Hasumi, K. Kaya, H. Watanabe, C. C. Carter, J. M. Williamson, Terry A. Miller

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Abstract

The geometric structures of 7-azaindole-water complexes, (7-AzI)-(H2O)n (n = 1-3), and 7-AzI dimer were investigated by laser-induced fluorescence (LIF) spectroscopy with high resolution (∼0.01 cm-1). For the 7-AzI-(H2O)n complexes (n = 1-3), the LIF spectra show partially resolved rotational structure, which has been analyzed in combination with theoretical calculations. This analysis yields the rotational constants and characterizes the structures. In 7-AzI-(H2O)1, the H2O molecule is located in the molecular plane, forming a six-membered ring with two hydrogen bonds. Analyses for 7-AzI-(H2O)2 and -(H2O)3 show, furthermore, that both the second and the third H2O are located in the molecular plane of 7-AzI, forming a network ring of hydrogen bonds. For the 7-AzI dimer, the LIF spectrum shows an unresolved rotational envelope. The rotational contour has been analyzed, and we discuss the dimer's likely structure.

Original languageEnglish
Pages (from-to)392-398
Number of pages7
JournalJournal of Physical Chemistry A
Volume101
Issue number4
DOIs
Publication statusPublished - 1997 Jan 23

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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    Nakajima, A., Hirano, M., Hasumi, R., Kaya, K., Watanabe, H., Carter, C. C., Williamson, J. M., & Miller, T. A. (1997). High-resolution laser-induced fluorescence spectra of 7-azaindole-water complexes and 7-azaindole dimer. Journal of Physical Chemistry A, 101(4), 392-398. https://doi.org/10.1021/jp9614411