IR-UV double-resonance spectroscopic study of 2-hydroxypyridine and its hydrogen-bonded clusters in supersonic jets

Yoshiyuki Matsuda; Takayuki Ebata; Naohiko Mikami

doi:10.1021/jp003272x

IR-UV double-resonance spectroscopic study of 2-hydroxypyridine and its hydrogen-bonded clusters in supersonic jets

Yoshiyuki Matsuda, Takayuki Ebata, Naohiko Mikami

SCI - Chemistry

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

49 Citations (Scopus)

Abstract

Infrared spectra of 2-hydroxypyridine (2HP) and its hydrogen-bonded clusters with water and methanol have been observed by IR-UV double-resonance spectroscopy. The OH stretching vibrations of the 2-HP site as well as either the water or methanol site were observed. The spectra were compared with those of the corresponding clusters of 2-pyridone (2PY), which have been reported in J. Chem. Phys. 1999, 110, 8397. The OH stretching vibration of bare 2HP was observed at 3600 cm^-1, representing a clear difference from the NH stretching vibration of 2PY (3441 cm^-1). On the other hand, the IR spectra of the 2HP-water and -methanol clusters were found to be very similar to those of the corresponding clusters of 2PY, indicating a solvation-mediated tautomerization between 2HP and 2PY. The cluster structures were examined using ab initio molecular orbital calculations.

Original language	English
Pages (from-to)	3475-3480
Number of pages	6
Journal	Journal of Physical Chemistry A
Volume	105
Issue number	14
DOIs	https://doi.org/10.1021/jp003272x
Publication status	Published - 2001 Apr 12

ASJC Scopus subject areas

Physical and Theoretical Chemistry

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title = "IR-UV double-resonance spectroscopic study of 2-hydroxypyridine and its hydrogen-bonded clusters in supersonic jets",

abstract = "Infrared spectra of 2-hydroxypyridine (2HP) and its hydrogen-bonded clusters with water and methanol have been observed by IR-UV double-resonance spectroscopy. The OH stretching vibrations of the 2-HP site as well as either the water or methanol site were observed. The spectra were compared with those of the corresponding clusters of 2-pyridone (2PY), which have been reported in J. Chem. Phys. 1999, 110, 8397. The OH stretching vibration of bare 2HP was observed at 3600 cm-1, representing a clear difference from the NH stretching vibration of 2PY (3441 cm-1). On the other hand, the IR spectra of the 2HP-water and -methanol clusters were found to be very similar to those of the corresponding clusters of 2PY, indicating a solvation-mediated tautomerization between 2HP and 2PY. The cluster structures were examined using ab initio molecular orbital calculations.",

author = "Yoshiyuki Matsuda and Takayuki Ebata and Naohiko Mikami",

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T1 - IR-UV double-resonance spectroscopic study of 2-hydroxypyridine and its hydrogen-bonded clusters in supersonic jets

AU - Matsuda, Yoshiyuki

AU - Ebata, Takayuki

AU - Mikami, Naohiko

PY - 2001/4/12

Y1 - 2001/4/12

N2 - Infrared spectra of 2-hydroxypyridine (2HP) and its hydrogen-bonded clusters with water and methanol have been observed by IR-UV double-resonance spectroscopy. The OH stretching vibrations of the 2-HP site as well as either the water or methanol site were observed. The spectra were compared with those of the corresponding clusters of 2-pyridone (2PY), which have been reported in J. Chem. Phys. 1999, 110, 8397. The OH stretching vibration of bare 2HP was observed at 3600 cm-1, representing a clear difference from the NH stretching vibration of 2PY (3441 cm-1). On the other hand, the IR spectra of the 2HP-water and -methanol clusters were found to be very similar to those of the corresponding clusters of 2PY, indicating a solvation-mediated tautomerization between 2HP and 2PY. The cluster structures were examined using ab initio molecular orbital calculations.

AB - Infrared spectra of 2-hydroxypyridine (2HP) and its hydrogen-bonded clusters with water and methanol have been observed by IR-UV double-resonance spectroscopy. The OH stretching vibrations of the 2-HP site as well as either the water or methanol site were observed. The spectra were compared with those of the corresponding clusters of 2-pyridone (2PY), which have been reported in J. Chem. Phys. 1999, 110, 8397. The OH stretching vibration of bare 2HP was observed at 3600 cm-1, representing a clear difference from the NH stretching vibration of 2PY (3441 cm-1). On the other hand, the IR spectra of the 2HP-water and -methanol clusters were found to be very similar to those of the corresponding clusters of 2PY, indicating a solvation-mediated tautomerization between 2HP and 2PY. The cluster structures were examined using ab initio molecular orbital calculations.

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