Factor analysis as a complement to infrared band resolution. VII. The temperature dependence of the self association of phenol in carbon tetrachloride solution

1980 ◽  
Vol 58 (4) ◽  
pp. 353-360 ◽  
Author(s):  
B. U. Petelenz ◽  
H. F. Shurvell
Keyword(s):  
Factor Analysis ◽  
Carbon Tetrachloride ◽  
The Self ◽  
Infrared Band ◽  
Absorption Bands ◽  
Carbon Tetrachloride Solution ◽  
A Value ◽  
Polymeric Species ◽  
Self Association ◽  
Infrared Absorption Bands

Infrared absorption bands in the OH stretching region of phenol in carbon tetrachloride solution have been recorded for various concentrations and at several temperatures between 25 and 60 °C. Factor analysis of the digitized spectra was carried out and the presence of three absorbing components in the OH stretching band was indicated at all temperatures in the range of 25–60 °C. The three components are assigned to monomer, linear dimer, and a polymeric species. It is suggested that the polymeric species is a cyclic trimer.Band contour resolution was carried out to obtain areas of the component bands. The variation of the monomer and dimer band areas with temperature was used to obtain a value for the enthalpy of dimerization of −15.8 ± 0.6 kJ mol−1.

The self association of di-t-butyl carbinol in carbon tetrachloride solution*

1967 ◽  
Vol 23 (8) ◽  
pp. 2333-2340 ◽  
Author(s):  
Larry K. Patterson ◽  
R.M. Hammaker
Keyword(s):  
Carbon Tetrachloride ◽  
The Self ◽  
Carbon Tetrachloride Solution ◽  
Self Association

Quantitative Infrared Absorption Measurements on Tri-n-Butyl Phosphate

1980 ◽  
Vol 34 (4) ◽  
pp. 415-417 ◽  
Author(s):  
Vincent P. Tomaselli ◽  
Hassan Zarrabi ◽  
K. D. Möller
Keyword(s):  
Infrared Absorption ◽  
Molar Absorptivity ◽  
Measured Data ◽  
Pure Liquid ◽  
Absorption Bands ◽  
A Value ◽  
Self Association ◽  
Solvent Molecules ◽  
Infrared Absorption Bands ◽  
Absorption Measurements

The molar absorptivity, ε(ν̄) of three intense infrared absorption bands in tri- n-butyl phosphate has been measured as a function of concentration. For all three bands, ε(ν̄) is independent of concentration for dilute solutions, then decreases uniformly with increasing concentration, and finally becomes independent of concentration again as one approaches the pure liquid. A saturation effect is found at about 1.0 M for all cases. Deviations from Beer's law behavior are observed at concentrations which depend upon the absorption band and/or the choice of nonpolar solvent. Self-association of the solute molecules is considered to be the cause of the decrease in ε(ν̄) with increasing concentration. From the measured data, it is possible to estimate the number of solvent molecules required to prevent this self-association. For CCl4, we find this value to be 25 molecules of solvent per solute molecule, a value in agreement with elementary geometric consideration.

Equilibrium centrifugation study of the self-association of N-methylacetamide in carbon tetrachloride solutions at 25.deg.

1971 ◽  
Vol 93 (25) ◽  
pp. 7075-7078 ◽  
Author(s):  
Robert J. Albers ◽  
Anne B. Swanson ◽  
Gordon C. Kresheck
Keyword(s):  
Carbon Tetrachloride ◽  
The Self ◽  
Self Association ◽  
Equilibrium Centrifugation

An evaluation of mathematical functions to fit infrared band envelopes

1967 ◽  
Vol 45 (20) ◽  
pp. 2347-2352 ◽  
Author(s):  
J. Pitha ◽  
R. Norman Jones
Keyword(s):  
Infrared Absorption ◽  
Condensed Phase ◽  
Gauss Sum ◽  
Infrared Band ◽  
Absorption Bands ◽  
Mathematical Functions ◽  
Analytical Functions ◽  
Fitting Procedures ◽  
Phase Systems ◽  
Infrared Absorption Bands

Simulated infrared absorption bands of condensed phase systems have been fitted with simple analytical functions by least-squares procedures. The bands were of Cauchy (Lorentz) contour and were modified to conform with the finite spectral slit distortion of the spectrophotometer. Cauchy, Cauchy–Gauss product, and Cauchy–Gauss sum functions were used in the fitting procedures using transmittance ordinates. The fits achieved were compared and the dependence of the optimized indices on the band distortion and data range were analyzed. Some preference for the Cauchy–Gauss sum function is indicated.

Factor analysis as a complement to band resolution. V. Complexing of pentachlorophenol and acetone in carbon tetrachloride solution

1978 ◽  
Vol 56 (23) ◽  
pp. 2959-2965 ◽  
Author(s):  
J. Korppi-Tommola ◽  
H. F. Shurvell
Keyword(s):  
Factor Analysis ◽  
Carbon Tetrachloride ◽  
Complex Formation ◽  
Infrared Spectrum ◽  
Equilibrium Constants ◽  
Complex Model ◽  
Carbon Tetrachloride Solution ◽  
Linear Relationships

Complex formation between pentachlorophenol and acetone and acetone-d6 in carbon tetrachloride solution has been studied in both the hydroxyl and carbonyl stretching regions of the infrared spectrum. Factor analysis of the digitized spectra indicates three absorbing components for each set of solutions in the hydroxyl stretching region. Concentration studies revealed roughly linear relationships between the areas of the 'free' ν(OH) band and both of the resolved complex bands, suggesting that two different 1:1 complexes occur in CCl4 solution. In the ν(CO) region only one band due to complex formation was detected. Equilibrium constants for the isotopically different complexes at about 30 °C are reported. In the hydroxyl stretching region, band resolution was also carried out using four components which gave a better fit to the observed spectrum. A set of equilibrium constants were then obtained. However, considerable difficulties were met in the calculations and in the interpretation of these results, so that the three band, two complex model is preferred.

NMR Study of Hydrogen Bonding Association of some Sterically Hindered Alcohols in Carbon Tetrachloride, Chloroform and Cyclohexane

2002 ◽  
Vol 216 (7) ◽  
Author(s):  
W.-C. Luo ◽  
J.-L. Lay ◽  
Jenn-Shing Chen
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Hydrogen Bonding ◽  
Carbon Tetrachloride ◽  
Magnetic Resonance ◽  
Magnetic Resonance Spectroscopy ◽  
Nuclear Magnetic Resonance Spectroscopy ◽  
The Self ◽  
Resonance Spectroscopy ◽  
Nmr Study ◽  
Self Association

The self-association (dimerization) due to hydrogen bonding for some alcohols with bulky side chains was investigated by nuclear magnetic resonance spectroscopy. The systems studied include 2,4-dimethyl-3-pentanol or 3-methyl-3-pentanol in [

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