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 |
| Publication status | Published - 1997 Jan 23 |
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High-resolution laser-induced fluorescence spectra of 7-azaindole-water complexes and 7-azaindole dimer. / Nakajima, Atsushi; Hirano, M.; Hasumi, R.; Kaya, K.; Watanabe, H.; Carter, C. C.; Williamson, J. M.; Miller, Terry A.
In: Journal of Physical Chemistry A, Vol. 101, No. 4, 23.01.1997, p. 392-398.Research output: Contribution to journal › Article
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TY - JOUR
T1 - High-resolution laser-induced fluorescence spectra of 7-azaindole-water complexes and 7-azaindole dimer
AU - Nakajima, Atsushi
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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M3 - Article
AN - SCOPUS:0030822326
VL - 101
SP - 392
EP - 398
JO - Journal of Physical Chemistry A
JF - Journal of Physical Chemistry A
SN - 1089-5639
IS - 4
ER -