Infrared spectroscopic studies of hydrogen-bonded complexes of water with oxygen bases. III. The HOH-bending region of the spectra of water molecules dissolved in some ketones and ethers

1986 ◽  
Vol 16 (6) ◽  
pp. 811-821 ◽  
Author(s):  
S. O. Paul ◽  
T. A. Ford
Keyword(s):  
Spectroscopic Studies ◽  
Water Molecules ◽  
Infrared Spectroscopic ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Infrared spectroscopic studies of hydrogen-bonded complexes in cryogenic sulutions

1987 ◽  
Vol 112 (3) ◽  
pp. 379-386 ◽  
Author(s):  
T.A. Iskanderov ◽  
Ya.M. Kimel'fel'd ◽  
E.M. Smirnova
Keyword(s):  
Spectroscopic Studies ◽  
Infrared Spectroscopic ◽  
Bonded Complexes ◽  
Hydrogen Bonded

scholarly journals FTIR spectroscopic studies and AM1 semi‒empirical calculations of some hydrogen‒bonded complexes of 2,5‒dihydroxy‒3,6‒dichlorobenzoquinone and anilines

2003 ◽  
Vol 17 (1) ◽  
pp. 65-75 ◽  
Author(s):  
Moustafa M. Habeeb ◽  
Gamal A. Gohar
Keyword(s):  
Spectroscopic Studies ◽  
Empirical Method ◽  
Intersection Point ◽  
Proton Affinities ◽  
Substituted Anilines ◽  
Deep Minimum ◽  
Chloranilic Acid ◽  
Semi Empirical ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Fourier transform infrared (FTIR) spectra of a series of 1 : 1 hydrogen-bonded complexes between 2,5-dihydroxy-3,6-dichlorobenzoquinone (chloranilic acid, CA) and anilines in the crystalline form were investigated. The correlation between the center of gravity of the protonic vibration bands (νcg, cm–1) and the calculated proton affinities of the investigated anilines (PA, kcal/mol) as well as the Hammett substituent constants, (σH) were presented. A deep minimum was located at PA = 210−211 kcal/mol and σH= 0.1 suggesting the existence of a critical behavior. The semi‒empiricalsemi‒empirical quantum mechanical method, AM1 was utilized to correlate the experimental FTIR data. The obtained data showed a reasonable consistency with the experimental results. An intersection point was recorded at PA = 210–211 kcal/mol in the correlations between the oxygen and nitrogen atomic charges, (q0and qN, esu), the OH and NH bond distances (ROHandRNH, Å) and PA values of the substituted anilines. The strict correlation between the experimental and the calculated results confirmed the validity of the AM1 semi-empirical method for studying chloranilic acid – anilines hydrogen-bonded complexes.

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