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

doi:10.1021/jp9614411

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

99 Citations (Scopus)

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 language	English
Pages (from-to)	392-398
Number of pages	7
Journal	Journal of Physical Chemistry A
Volume	101
Issue number	4
DOIs	https://doi.org/10.1021/jp9614411
Publication status	Published - 1997 Jan 23

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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title = "High-resolution laser-induced fluorescence spectra of 7-azaindole-water complexes and 7-azaindole dimer",

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.",

author = "A. Nakajima and M. Hirano and R. Hasumi and K. Kaya and H. Watanabe and Carter, {C. C.} and Williamson, {J. M.} and Miller, {Terry A.}",

year = "1997",

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doi = "10.1021/jp9614411",

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T1 - High-resolution laser-induced fluorescence spectra of 7-azaindole-water complexes and 7-azaindole dimer

AU - Nakajima, A.

AU - Hirano, M.

AU - Hasumi, R.

AU - Kaya, K.

AU - Watanabe, H.

AU - Carter, C. C.

AU - Williamson, J. M.

AU - Miller, Terry A.

PY - 1997/1/23

Y1 - 1997/1/23

N2 - 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.

AB - 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.

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