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

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 7. A scale of solute hydrogen-bond acidity based on log K values for complexation in tetrachloromethane

1989 ◽  
pp. 699 ◽  
Author(s):  
Michael H. Abraham ◽  
Priscilla L. Grellier ◽  
David V. Prior ◽  
Philip P. Duce ◽  
Jeffrey J. Morris ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bond Acidity

scholarly journals Hydrogen-bond acidity of ionic liquids: an extended scale

2015 ◽  
Vol 17 (29) ◽  
pp. 18980-18990 ◽  
Author(s):  
Kiki A. Kurnia ◽  
Filipa Lima ◽  
Ana Filipa M. Cláudio ◽  
João A. P. Coutinho ◽  
Mara G. Freire
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Ionic Liquids ◽  
Theoretical Approaches ◽  
Hydrogen Bond Acidity ◽  
Extended Scale

Through the combination of experimental and theoretical approaches, a new extended scale for the hydrogen-bonding acidity of ionic liquids is provided.

scholarly journals α-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity

ChemPhysChem ◽  
2016 ◽  
Vol 17 (17) ◽  
pp. 2702-2709 ◽  
Author(s):  
Elena Bogdan ◽  
Alexis Quarré de Verneuil ◽  
François Besseau ◽  
Guillaume Compain ◽  
Bruno Linclau ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Conformational Preference ◽  
Hydrogen Bond Acidity ◽  
Intramolecular Hydrogen

Interaction of Gold Atom with Clusters of Water: Few Computational Mise-En-Scènes with Hydrogen Bonding Motif

2008 ◽  
Vol 73 (11) ◽  
pp. 1457-1474 ◽  
Author(s):  
Eugene S. Kryachko
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Model ◽  
Photoelectron Spectroscopy ◽  
Water Clusters ◽  
Gold Atom ◽  
Proton Acceptor ◽  
Anion Photoelectron Spectroscopy ◽  
Relationship Of ◽  
First Time

The present work outlines the fair relationship of the computational model with the experiments on anion photoelectron spectroscopy for the gold-water complexes [Au(H2O)1≤n≤2]- that is established between the auride anion Au- and water monomer and dimer thanks to the nonconventional hydrogen bond where Au- casts as the nonconventional proton acceptor. This work also extends the computational model to the larger complexes [Au(H2O)3≤n≤5]- where gold considerably thwarts the shape of water clusters and even particularly breaks their conventional hydrogen bonding patterns. The fascinating phenomenon of the lavish proton acceptor character of Au- to form at least six hydrogen bonds with molecules of water is computationally unveiled in the present work for the first time.

Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid–N′-(propan-2-ylidene)nicotinohydrazide (1/1)

2012 ◽  
Vol 68 (9) ◽  
pp. o335-o337 ◽  
Author(s):  
Saul H. Lapidus ◽  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Peter W. Stephens
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Powder Diffraction ◽  
Supramolecular Assembly ◽  
Covalent Bond ◽  
Analytical Tool ◽  
Powder Diffraction Data ◽  
Dihydroxybenzoic Acid ◽  
Bond Forming ◽  
Hydrogen Bond Interactions

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm(2011),13, 55–59]. The title structure, C9H11N3O·C7H6O4, which consists of a reacted niazid molecule,viz.N′-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.

Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (S,S)-N,N′-monothiooxalyldileucine methyl ester and its dithio analogue

2004 ◽  
Vol 60 (1) ◽  
pp. 90-96 ◽  
Author(s):  
Biserka Kojić-Prodić ◽  
Berislav Perić ◽  
Zoran Štefanić ◽  
Anton Meden ◽  
Janja Makarević ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Methyl Ester ◽  
Crystal Structures ◽  
Hydrogen Bond Network ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Bond Network ◽  
Bonding Systems

To compare the structural properties of oxalamide and thiooxalamide groups in the formation of hydrogen bonds suitable for supramolecular assemblies a series of retropeptides was studied. Some of them, having oxalamide bridges, are gelators of organic solvents and water. However, retropeptides with oxygen replaced by the sp 2 sulfur have not exhibited such properties. The crystal structures of the two title compounds are homostructural, i.e. they have similar packing arrangements. The monothio compound crystallizes in the orthorhombic space group P212121 with two molecules in the asymmetric unit arranged in a hydrogen-bond network with an approximate 41 axis along the crystallographic b axis. However, the dithio and dioxo analogues crystallize in the tetragonal space group P41 with similar packing patterns and hydrogen-bonding systems arranged in agreement with a crystallographic 41 axis. Thus, these two analogues are isostructural having closely related hydrogen-bonding patterns in spite of the different size and polarity of oxygen and sulfur which serve as the proton acceptors.

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