The solubility of gases and vapours in ethanol - the connection between gaseous solubility and water-solvent partition

1998 ◽  
Vol 76 (6) ◽  
pp. 703-709 ◽  
Author(s):  
Michael H Abraham ◽  
Gary S Whiting ◽  
Wendel J Shuely ◽  
Ruth M Doherty
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Correlation Equation ◽  
Strong Hydrogen Bond ◽  
Log P ◽  
Water Solvent ◽  
Chemical Factors ◽  
Solubility Of Gases ◽  
Solubility Coefficients ◽  
Hydrogen Bond Acidity

Ostwald solubility coefficients, as log L, for solutes in water and ethanol have been combined to give log PEtOH for partition between the two pure solvents. Sixty-four such values have been correlated through our solvation equation, the coefficients of which lead to the conclusion that ethanol and water solvents are equally strong hydrogen-bond bases, but that ethanol is much weaker as a hydrogen-bond acid. A slightly different solvation equation has been used to correlate 68 values of log LEtOH; the coefficients in this equation yield the same conclusions as to the hydrogen-bond acidity and basicity of bulk ethanol. In addition, an analysis of the various terms in the log LEtOH correlation equation allows the elucidation of the various chemical factors that govern the solubility of gaseous solutes in ethanol solvent at 298 K.Key words: solubility, partition, hydrogen-bonding, ethanol, water.

Hydrogen-bonding. Part 11. A quantitative evaluation of the hydrogen-bond acidity of imides as solutes

1990 ◽  
Vol 55 (7) ◽  
pp. 2227-2229 ◽  
Author(s):  
Michael H. Abraham ◽  
Priscilla L. Grellier ◽  
David V. Prior ◽  
Jeffrey J. Morris ◽  
Peter J. Taylor ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Quantitative Evaluation ◽  
Hydrogen Bond Acidity

Redox-Controlled Hydrogen Bonding: Turning a Superbase into a Strong Hydrogen-Bond Donor

2014 ◽  
Vol 20 (20) ◽  
pp. 5914-5925 ◽  
Author(s):  
Ute Wild ◽  
Christiane Neuhäuser ◽  
Sven Wiesner ◽  
Elisabeth Kaifer ◽  
Hubert Wadepohl ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Strong Hydrogen Bond ◽  
Hydrogen Bond Donor

Solubility predictions for crystalline nonelectrolyte solutes dissolved in organic solvents based upon the Abraham general solvation model

2001 ◽  
Vol 79 (10) ◽  
pp. 1466-1476 ◽  
Author(s):  
William E Acree, Jr. ◽  
Michael H Abraham
Keyword(s):  
Hydrogen Bond ◽  
Gas Phase ◽  
Organic Solvents ◽  
Molar Refraction ◽  
Solvation Model ◽  
Absolute Deviation ◽  
Solubility Behavior ◽  
Water Solvent ◽  
Solubility Predictions ◽  
Hydrogen Bond Acidity

The Abraham general solvation model is used to predict the saturation solubility of crystalline nonelectrolyte solutes in organic solvents. The derived equations take the form of log (CS/CW) = c + rR2 + sπ2H + aΣα2H + bΣβ2H + vVx and log (CS/CG) = c + rR2 + sπ2H + aΣα2H + bΣβ2H + l log L(16) where CS and CW refer to the solute solubility in the organic solvent and water, respectively, CG is a gas-phase concentration, R2 is the solute's excess molar refraction, Vx is McGowan volume of the solute, Σα2H and Σβ2H are measures of the solute's hydrogen-bond acidity and hydrogen-bond basicity, π2H denotes the solute's dipolarity and (or) polarizability descriptor, and log L(16) is the solute's gas-phase dimensionless Ostwald partition coefficient into hexadecane at 298 K. The remaining symbols in the above expressions are known equation coefficients, which have been determined previously for a large number of gas–solvent and water–solvent systems. Computations show that the Abraham general solvation model predicts the observed solubility behavior of anthracene, phenanthrene, and hexachlorobenzene to within an average absolute deviation of about ±35%.Key words: solubility predictions, organic solvents, nonelectrolyte solutes, partition coefficients.

scholarly journals Characterisation of isothiocyanic acid, HNCS, in the solid state: trapped by hydrogen bonding

2016 ◽  
Vol 52 (90) ◽  
pp. 13296-13298 ◽  
Author(s):  
Stefano Nuzzo ◽  
Brendan Twamley ◽  
James A. Platts ◽  
Robert J. Baker
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Dft Calculations ◽  
Strong Hydrogen Bond ◽  
Structural Characterisation ◽  
Image Courtesy

The structural characterisation of [Ph4P][NCS]·HNCS is reported and structurally characterised. DFT calculations and spectroscopy show a strong hydrogen bond (image courtesy of ESO).

Polysulfonylamine, CXLII [1]. Ein supramolekulares Monomer-Dimer-Paar: Starke und schwache Wasserstoffbrücken in den Kristallstrukturen von Pyridinium-dimesylamid und 4,4´-Bipyridindiium-bis(dimesylamid) / Polysulfonylamines, CXLII [1]. A Supramolecular Monomer-Dimer Pair: Strong and Weak Hydrogen Bonding in the Crystal Structures of Pyridinium Dimesylamide and 4,4´-Bipyridinediium Bis(dimesylamide)

2001 ◽  
Vol 56 (10) ◽  
pp. 1041-1051 ◽  
Author(s):  
Oliver Moers ◽  
Ilona Lange ◽  
Karna Wijaya ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Low Temperature ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Strong Hydrogen Bond ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Normalized Parameters ◽  
Hydrogen Bonding Networks

In order to study packing arrangements and hydrogen bonding networks, low-temperature X-ray structures were determined for pyH+(MeSO2)2N- (M, orthorhombic, space group P212121, Z′ = 1) and 4,4′-bipyH22+ ·(MeSO2)2N- (D, monoclinic, C2/c, Z′ = 0.5). The structures consist of ionic formula entities assembled by N+-H···N- hydrogen bonds; the dication in D displays crystallographic C2 symmetry and has its two pyridyl moieties twisted by 43.9°. According to the packing architectures, D represents a supramolecular dimer of the monomeric congener M. In particular, the (MeSO2)2N- ions of the M structure are associated via short C(sp3) - H···O contacts to form a diamondoid network, whereas in D a topologically congruent framework is constructed from weakly hydrogen-bonded [(MeSO2)N-]2 nodes. Hexagonal channels in the anion substructures each include two adjacent stacks of monomeric pyH+ or “dimeric” 4,4-bipyH22+ cations that are linked to the channel walls by the strong hydrogen bond(s) and a set of short Car-H···O contacts. All C - H···O taken into consideration have normalized parameters d(H···O) ≤ 270 pm and θ(C - H···O) ≥ 115°.

Investigation of the Origin of Voltage Generation in Potentized Homeopathic Medicine through Raman Spectroscopy

Homeopathy ◽  
2019 ◽  
Vol 108 (02) ◽  
pp. 121-127 ◽  
Author(s):  
Tara Bhattacharya ◽  
Payaswini Maitra ◽  
Debbethi Bera ◽  
Kaushik Das ◽  
Poonam Bandyopadhyay ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Raman Spectroscopy ◽  
Hydrogen Bonding ◽  
Electrical Properties ◽  
Hydrogen Bonds ◽  
Vibrational Spectra ◽  
Strong Hydrogen Bond ◽  
Oh Groups ◽  
Homeopathic Medicine ◽  
Presence And Absence

Background For the study of homeopathic medicines in proper perspective, emerging techniques in material science are being used. Vibrational spectroscopy is one such tool for providing information on different states of hydrogen bonding as an effect of potentization. The associated change in electrical properties is also correlated with this effect. Objective From the vibrational spectra, the changes in hydrogen bonding due to dilution followed by unidirectional vigorous shaking (together termed potentization) of 91% ethanol and two homeopathic medicines Chininum purum and Acidum benzoicum have been studied. The aim was to correlate the result with the change in the electrical properties of the system. Methods Raman spectroscopy was used to study the vibrational spectra. A U-shaped glass tube (electrochemical cell), where one arm contained bi-distilled water and the other arm alcohol/homeopathic medicine (the arms being separated by a platinum foil), was used to measure the voltage generated across two symmetrically placed platinum electrodes. Results For all samples, it was observed that potentization affected the intensity of OH stretching bands at the frequencies 3240 cm−1, 3420 cm−1 and 3620 cm−1, corresponding to strong hydrogen bond, weak hydrogen bond and broken hydrogen bond, respectively. With the increase in potency, in the presence and absence of the two medicines in ethanol, the number of OH groups linked by strong hydrogen bonds decreased, while the number of OH groups with weak hydrogen bonds increased. With the increase in potentization, the number of OH groups with broken hydrogen bonds showed a difference in the presence and absence of the medicine.The voltage measurements for ethanol show that, with succussion, the magnitude of voltage increased with the two medicines at lower potencies, but not at higher potency where the voltage is lower. Acidum benzoicum, which is acidic in nature, had higher voltage values (113mV, 130 mV and 118 mV at 6C, 30C and 200C, respectively), compared with Chininum purum, which is basic in nature (20 mV, 85 mV and 65 mV at 6C, 30C and 200C, respectively). Conclusion The experimental results indicate a correlation between the vibrational and electrical properties of the homeopathic medicines Acidum benzoicum and Chininum purum at different potencies.

Thermochemical behavior of dissolved carboxylic acid solutes: Solubilities of 3-methylbenzoic acid and 4-chlorobenzoic acid in organic solvents

2003 ◽  
Vol 81 (12) ◽  
pp. 1492-1501 ◽  
Author(s):  
Charlisa R Daniels ◽  
Amanda K Charlton ◽  
Rhiannon M Wold ◽  
William E Acree, Jr. ◽  
Michael H Abraham
Keyword(s):  
Hydrogen Bond ◽  
Gas Phase ◽  
Molar Refraction ◽  
Solvation Model ◽  
Chlorobenzoic Acid ◽  
Solubility Behavior ◽  
Water Solvent ◽  
Experimental Solubility Data ◽  
Hydrogen Bond Acidity ◽  
Alcohol Solvents

The Abraham general solvation model is used to correlate the solubility behavior of 3-methylbenzoic acid and 4-chlorobenzoic acid in alcohol and ether solvents. The mathematical correlations take the form of [Formula: see text] [Formula: see text] where CS and CW refer to the solute solubility in the organic solvent and water, respectively; CG is a gas-phase concentration; R2 is the solute excess molar refraction; Vx is the McGowan volume of the solute; ΣαH2 and ΣβH2 are measures of the solute hydrogen-bond acidity and hydrogen-bond basicity; πH2 denotes the solute dipolarity–polarizability descriptor; and L(16) is the solute gas-phase dimensionless Ostwald partition coefficient into hexadecane at 298 K. The remaining symbols in the above expressions are known solvent coefficients, which have been determined previously for a large number of gas–solvent and water–solvent systems. The Abraham general solvation model was found to describe the experimental solubility data and published literature partitioning data of 3-methylbenzoic acid and 4-chlorobenzoic acid to within overall standard deviations of 0.079 log units and 0.085 log units, respectively. Key words: 3-methylbenzoic acid solubilities, 4-chlorobenzoic acid solubilities, alcohol solvents, partition coefficients, molecular solute descriptors, solubility predictions.

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