Polarized infrared spectra of hydrogen-bonded systems by the stretched-polymer method. 2. Transition moment directions of the vibrations of normal and deuterated acetic acid dimers

1984 ◽  
Vol 88 (24) ◽  
pp. 5981-5986 ◽  
Author(s):  
Martti Ovaska
Keyword(s):  
Acetic Acid ◽  
Infrared Spectra ◽  
Transition Moment ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

Infrared Spectra of Crystalline Acetic Acid, a Hydrogen-Bonded Polymer

1977 ◽  
Vol 31 (2) ◽  
pp. 110-115 ◽  
Author(s):  
P. F. Krause ◽  
J. E. Katon ◽  
J. M. Rogers ◽  
D. B. Phillips
Keyword(s):  
Hydrogen Bonding ◽  
Acetic Acid ◽  
Infrared Spectra ◽  
Group Analysis ◽  
Structural Models ◽  
Factor Group ◽  
Vibrational Modes ◽  
Cryogenic Temperatures ◽  
Polymeric Chains ◽  
Hydrogen Bonded

The polarized infrared spectra of crystalline acetic acid and two of its deuterated derivatives, CH3COOD and CD3COOD, have been recorded from 400 to 4000 cm−1 at cryogenic temperatures. The spectroscopic results have been interpreted on the basis of a factor group analysis based on two structural models: a crystallographic cell composed of four interacting monomer units some of whose vibrational modes are highly perturbed by hydrogen bonding and a unit cell composed of two noninteracting acetic acid chains. The results are discussed in terms of possible interactions between the hydrogen-bonded acetic acid polymeric chains.

Infrared spectra of hydrogen bonded adducts of 2,6-dichlorophenols and oxygen bases

1985 ◽  
Vol 63 (12) ◽  
pp. 3568-3572 ◽  
Author(s):  
R. Wolny ◽  
A. Koll ◽  
L. Sobczyk
Keyword(s):  
Infrared Spectra ◽  
Infrared Region ◽  
Hydroxyl Group ◽  
Vibration Band ◽  
Inversion Point ◽  
Integrated Intensity ◽  
Stretching Vibration ◽  
Background Absorption ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

Infrared spectra of hydrogen bonded complexes of 2,6-dichlorophenol derivatives and oxygen bases have been studied over a broad ΔpKa range (from −10.55 to +1.69). For the complexes of 1:1 stoichiometry typical evolution of spectra, similar to those for other hydrogen bonded systems, have been found. With an increase of ΔpKa the hydroxyl group stretching vibration band shifts to lower frequencies until the inversion region is reached, where hydrogen bonded (HB) and proton transfer (PT) forms occur in equilibrium, then abroad background absorption is observed. The centre of gravity of the broad protonic bands, veg, calculated from the integrated intensity over the whole infrared region have been correlated with ΔpKa and the contribution of the PT form. It has been shown that the minimum on the plot veg vs. ΔpKa is reached close to the inversion point, where KPT = 1. The observed correlations and the change in the shape of the broad protonic absorption are consistent with expectations of theories based on the concept of the double minimum potential function and the stochastic mechanisms of band broadening.

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