Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
IR absorption spectra of orthomethyl dimethylaminophenols in gas phase and liquified Xe : Analysis of the vs(OH)-band contour. / Melikova, S. M.; Rutkovskii, K. S.; Shchepkin, D. N.; Koll, A.
в: Optics and Spectroscopy (English translation of Optika i Spektroskopiya), Том 77, № 5, 11.1994, стр. 684-690.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - IR absorption spectra of orthomethyl dimethylaminophenols in gas phase and liquified Xe
T2 - Analysis of the vs(OH)-band contour
AU - Melikova, S. M.
AU - Rutkovskii, K. S.
AU - Shchepkin, D. N.
AU - Koll, A.
PY - 1994/11
Y1 - 1994/11
N2 - IR absorption spectra of the three Mannich bases with intramolecular hydrogen bonds were studied in gas phase at T = 380 K and in liquid and supercritical Xe over a wide temperature range (170 - 290 K). The bases were 2-(N,N-dimethylaminomethyl)phenol (I) and two substituted species with 4-Cl (II) and 4,6-di-Cl (III) substituents. The frequencies and relative band intensities were measured in the 4000-100 cm-1 spectral range. Semiempirical calculations of the frequencies and form of the normal vibrations were performed at the MNDO (PM-3) level. The temperature dependence of the spectral moments of the vs(OH) band and its transformation upon deuteration were also studied. A model calculation of its shape was performed taking into account a strong anharmonic coupling between the stretching vs(OH) and low-frequency vi vibrations of the hydrogen bridge. The effective coupling constant was found to be b̄i = ᾱssi/v̄i≈0.7.
AB - IR absorption spectra of the three Mannich bases with intramolecular hydrogen bonds were studied in gas phase at T = 380 K and in liquid and supercritical Xe over a wide temperature range (170 - 290 K). The bases were 2-(N,N-dimethylaminomethyl)phenol (I) and two substituted species with 4-Cl (II) and 4,6-di-Cl (III) substituents. The frequencies and relative band intensities were measured in the 4000-100 cm-1 spectral range. Semiempirical calculations of the frequencies and form of the normal vibrations were performed at the MNDO (PM-3) level. The temperature dependence of the spectral moments of the vs(OH) band and its transformation upon deuteration were also studied. A model calculation of its shape was performed taking into account a strong anharmonic coupling between the stretching vs(OH) and low-frequency vi vibrations of the hydrogen bridge. The effective coupling constant was found to be b̄i = ᾱssi/v̄i≈0.7.
UR - http://www.scopus.com/inward/record.url?scp=0028542232&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0028542232
VL - 77
SP - 684
EP - 690
JO - OPTICS AND SPECTROSCOPY
JF - OPTICS AND SPECTROSCOPY
SN - 0030-400X
IS - 5
ER -
ID: 90572658