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Temperature dependence of the νs(OH) band shape of ortho-Mannich bases in gas phase and liquid xenon solution.

Autorzy

Konstanty Rutkowski

S. M. Melikova

Aleksander Koll

Rok wydania

1994

Czasopismo

Vibrational Spectroscopy

Numer woluminu

7

Strony

265-274

DOI

10.1016/0924-2031(94)85016-X

Kolekcja

Naukowa

Język

Angielski

Typ publikacji

Artykuł

Streszczenie

Infrared spectra of the two ortho-Mannich bases 2-(N,N-dimethylaminomethyl)-4-chlorophenol (I) and 2-(N,N-dimethylaminomethyl)-4,6-dichlorophenol (II) with a medium-strong intramolecular hydrogen bond, were measured in a wide frequency (4000-50 cm−1) and temperature (−105°C to +120°C) range in liquid Xe, CCl4 solutions and gas phase. The temperature studies of the first and second spectral moments of the νs(OH) band in liquid Xe within the temperature range from −105 to +30°C allow for the analysis of the νs(OH) mode coupled with the low-frequency vibrations (νl) of the non-linear hydrogen bond. Transitions located at ca. 150, 250 and 340 cm−1 were selected as such νl modes. The effective coupling parameter between high-frequency νs(OH) and low-frequency νl vibrations of the hydrogen bridge was evaluated: b = αssl/ωl ⋍ 0.7. Model calculations accounting for the hot and combination transitions give satisfactory reproduction of the gas phase νs(OH) and νs(OD) bands shapes. Both temperature experiments and model calculations predict that even at 0 K the halfwidth of the νs(OH) band can be quite large, viz. ca. 200–400 cm−1.

Adres publiczny

https://doi.org/10.1016/0924-2031(94)85016-X

Strona internetowa wydawcy

http://www.elsevier.com

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